mirror of
https://github.com/schrodinger/pymol-open-source.git
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1394 lines
38 KiB
C++
1394 lines
38 KiB
C++
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/*
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A* -------------------------------------------------------------------
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B* This file contains source code for the PyMOL computer program
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C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific.
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D* -------------------------------------------------------------------
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E* It is unlawful to modify or remove this copyright notice.
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F* -------------------------------------------------------------------
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G* Please see the accompanying LICENSE file for further information.
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H* -------------------------------------------------------------------
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I* Additional authors of this source file include:
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-*
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-* Filipe Maia
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-*
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Z* -------------------------------------------------------------------
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*/
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#include "os_python.h"
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#include "os_gl.h"
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#include "os_predef.h"
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#include "os_std.h"
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#include "Base.h"
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#include "ButMode.h"
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#include "CGO.h"
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#include "Color.h"
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#include "Executive.h"
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#include "Feedback.h"
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#include "Isosurf.h"
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#include "Map.h"
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#include "Matrix.h"
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#include "MemoryDebug.h"
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#include "ObjectGadgetRamp.h"
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#include "ObjectSlice.h"
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#include "P.h"
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#include "PConv.h"
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#include "Parse.h"
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#include "Scene.h"
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#include "Setting.h"
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#include "ShaderMgr.h"
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#include "Text.h"
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#include "Util.h"
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#include "Vector.h"
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#include "main.h"
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#define START_STRIP -1
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#define STOP_STRIP -2
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static void ObjectSliceRecomputeExtent(ObjectSlice* I);
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static PyObject* ObjectSliceStateAsPyList(ObjectSliceState* I)
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{
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PyObject* result = nullptr;
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result = PyList_New(10);
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PyList_SetItem(result, 0, PyInt_FromLong(I->Active));
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PyList_SetItem(result, 1, PyString_FromString(I->MapName));
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PyList_SetItem(result, 2, PyInt_FromLong(I->MapState));
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PyList_SetItem(result, 3, PConvFloatArrayToPyList(I->ExtentMin, 3));
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PyList_SetItem(result, 4, PConvFloatArrayToPyList(I->ExtentMax, 3));
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PyList_SetItem(result, 5, PyInt_FromLong(I->ExtentFlag));
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PyList_SetItem(result, 6, PConvFloatArrayToPyList(I->origin, 3));
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PyList_SetItem(result, 7, PConvFloatArrayToPyList(I->system, 9));
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PyList_SetItem(result, 8, PyFloat_FromDouble(I->MapMean));
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PyList_SetItem(result, 9, PyFloat_FromDouble(I->MapStdev));
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return (PConvAutoNone(result));
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}
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static PyObject* ObjectSliceAllStatesAsPyList(ObjectSlice* I)
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{
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PyObject* result = nullptr;
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int a;
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result = PyList_New(I->State.size());
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for (a = 0; a < I->State.size(); a++) {
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if (I->State[a].Active) {
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PyList_SetItem(result, a, ObjectSliceStateAsPyList(I->State.data() + a));
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} else {
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PyList_SetItem(result, a, PConvAutoNone(nullptr));
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}
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}
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return (PConvAutoNone(result));
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}
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static int ObjectSliceStateFromPyList(
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PyMOLGlobals* G, ObjectSliceState* I, PyObject* list)
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{
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int ok = true;
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if (ok)
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ok = (list != nullptr);
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if (ok) {
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if (!PyList_Check(list))
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I->Active = false;
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else {
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if (ok)
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ok = (list != nullptr);
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if (ok)
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ok = PyList_Check(list);
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/* TO SUPPORT BACKWARDS COMPATIBILITY...
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Always check ll when adding new PyList_GetItem's */
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if (ok)
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ok = PConvPyIntToInt(PyList_GetItem(list, 0), &I->Active);
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if (ok)
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ok = PConvPyStrToStr(PyList_GetItem(list, 1), I->MapName, WordLength);
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if (ok)
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ok = PConvPyIntToInt(PyList_GetItem(list, 2), &I->MapState);
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if (ok)
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ok = PConvPyListToFloatArrayInPlace(
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PyList_GetItem(list, 3), I->ExtentMin, 3);
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if (ok)
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ok = PConvPyListToFloatArrayInPlace(
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PyList_GetItem(list, 4), I->ExtentMax, 3);
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if (ok)
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ok = PConvPyIntToInt(PyList_GetItem(list, 5), &I->ExtentFlag);
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if (ok)
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ok = PConvPyListToFloatArrayInPlace(
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PyList_GetItem(list, 6), I->origin, 3);
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if (ok)
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ok = PConvPyListToFloatArrayInPlace(
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PyList_GetItem(list, 7), I->system, 9);
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if (ok)
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ok = PConvPyFloatToFloat(PyList_GetItem(list, 8), &I->MapMean);
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if (ok)
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ok = PConvPyFloatToFloat(PyList_GetItem(list, 9), &I->MapStdev);
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I->RefreshFlag = true;
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}
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}
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return (ok);
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}
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static int ObjectSliceAllStatesFromPyList(
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ObjectSlice* I, PyObject* list, int size)
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{
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int ok = true;
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int a;
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if (ok)
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ok = PyList_Check(list);
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assert(size == PyList_Size(list));
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if (ok) {
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for (a = 0; a < size; a++) {
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CPythonVal* val = CPythonVal_PyList_GetItem(I->G, list, a);
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I->State.emplace_back(I->G);
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ok = ObjectSliceStateFromPyList(I->G, &I->State[a], val);
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CPythonVal_Free(val);
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if (!ok)
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break;
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}
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}
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return (ok);
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}
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int ObjectSliceNewFromPyList(
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PyMOLGlobals* G, PyObject* list, ObjectSlice** result)
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{
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int ok = true;
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ObjectSlice* I = nullptr;
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(*result) = nullptr;
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if (ok)
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ok = (list != nullptr);
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if (ok)
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ok = PyList_Check(list);
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/* TO SUPPORT BACKWARDS COMPATIBILITY...
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Always check ll when adding new PyList_GetItem's */
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I = new ObjectSlice(G);
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if (ok)
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ok = (I != nullptr);
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if (ok) {
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CPythonVal* val = CPythonVal_PyList_GetItem(G, list, 0);
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ok = ObjectFromPyList(G, val, I);
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CPythonVal_Free(val);
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}
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int size;
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if (ok)
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ok = CPythonVal_PConvPyIntToInt_From_List(G, list, 1, &size);
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if (ok) {
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CPythonVal* val = CPythonVal_PyList_GetItem(G, list, 2);
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ok = ObjectSliceAllStatesFromPyList(I, val, size);
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CPythonVal_Free(val);
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}
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if (ok) {
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(*result) = I;
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ObjectSliceRecomputeExtent(I);
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} else {
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/* cleanup? */
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}
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return (ok);
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}
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PyObject* ObjectSliceAsPyList(ObjectSlice* I)
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{
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PyObject* result = nullptr;
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result = PyList_New(3);
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PyList_SetItem(result, 0, ObjectAsPyList(I));
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PyList_SetItem(result, 1, PyInt_FromLong(I->State.size()));
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PyList_SetItem(result, 2, ObjectSliceAllStatesAsPyList(I));
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return (PConvAutoNone(result));
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}
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void ObjectSlice::invalidate(cRep_t rep, cRepInv_t level, int state)
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{
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int a;
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int once_flag = true;
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for (a = 0; a < State.size(); a++) {
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if (state < 0)
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once_flag = false;
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if (!once_flag)
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state = a;
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State[state].RefreshFlag = true;
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SceneChanged(G);
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if (once_flag)
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break;
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}
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}
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static void ObjectSliceStateAssignColors(
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ObjectSliceState* oss, ObjectGadgetRamp* ogr)
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{
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/* compute the colors */
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if (oss && !oss->values.empty() && !oss->colors.empty()) {
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int* min = oss->min;
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int* max = oss->max;
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float* value = oss->values.data();
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auto* flag = oss->flags.data();
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auto* color = glm::value_ptr(oss->colors.front());
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for (int y = min[1]; y <= max[1]; y++) {
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for (int x = min[0]; x <= max[0]; x++) {
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if (*flag) {
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ObjectGadgetRampInterpolate(ogr, *value, color);
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ColorLookupColor(oss->G, color);
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}
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color += 3;
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value++;
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flag++;
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}
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}
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}
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}
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/**
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* @brief Determines if Track Camera setting is enabled and allowed
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* @param slice the slice object whose track_camera setting is queried
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* @return true if the track camera setting is enabled
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* @note In GPU module mode, this is forced off for now.
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*/
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static bool IsTrackCameraEnabled(const ObjectSlice& slice)
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{
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auto G = slice.G;
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auto track_camera = SettingGet<bool>(
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G, nullptr, slice.Setting.get(), cSetting_slice_track_camera);
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return track_camera;
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}
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/**
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* @brief Updates a slice object state
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* @param I slice object
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* @param oss slice object state
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* @param oms corresponding object map state
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*/
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static void ObjectSliceStateUpdate(
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ObjectSlice* I, ObjectSliceState* oss, ObjectMapState* oms)
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{
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int ok = true;
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int min[2] = {0, 0}, max[2] = {0, 0}; /* limits of the rectangle */
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int need_normals = false;
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auto track_camera = IsTrackCameraEnabled(*I);
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float grid =
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SettingGet<float>(I->G, nullptr, I->Setting.get(), cSetting_slice_grid);
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int min_expand = 1;
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if (SettingGet<bool>(
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I->G, nullptr, I->Setting.get(), cSetting_slice_dynamic_grid)) {
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float resol = SettingGet<float>(I->G, nullptr, I->Setting.get(),
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cSetting_slice_dynamic_grid_resolution);
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float scale = SceneGetScreenVertexScale(I->G, oss->origin);
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oss->last_scale = scale;
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grid = resol * scale;
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}
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oss->shaderCGO.reset();
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if (track_camera) {
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oss->outline_n_points = 0;
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}
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if (grid < 0.01F)
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grid = 0.01F;
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/* for the given map, compute a new set of interpolated points with
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* accompanying levels */
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/* first, find the limits of the enclosing rectangle, starting at the slice
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origin, via a simple brute-force approach... */
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if (oss->ExtentFlag) { /* how far out do we need to go to be sure we intersect
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the map? */
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min_expand = (int) (diff3f(oss->ExtentMax, oss->ExtentMin) / grid);
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}
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if (ok) {
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int size = 1, minus_size;
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int a;
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int keep_going = true;
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int n_cycles = 0;
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float point[3];
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while (keep_going || (n_cycles < min_expand)) {
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keep_going = false;
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minus_size = -size;
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n_cycles++;
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for (a = -size; a <= size; a++) {
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if ((max[1] != size) || (min[0] > a) || (max[0] < a)) {
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point[0] = grid * a;
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point[1] = grid * size;
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point[2] = 0.0F;
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transform33f3f(oss->system, point, point);
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add3f(oss->origin, point, point);
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if (ObjectMapStateContainsPoint(oms, point)) {
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keep_going = true;
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if (max[1] < size)
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max[1] = size;
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if (min[0] > a)
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min[0] = a;
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if (max[0] < a)
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max[0] = a;
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}
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} else
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keep_going = true;
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if ((min[1] != minus_size) || (min[0] > a) || (max[0] < a)) {
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point[0] = grid * a;
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point[1] = grid * minus_size;
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point[2] = 0.0F;
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transform33f3f(oss->system, point, point);
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add3f(oss->origin, point, point);
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if (ObjectMapStateContainsPoint(oms, point)) {
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keep_going = true;
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if (min[1] > minus_size)
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min[1] = minus_size;
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if (min[0] > a)
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min[0] = a;
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if (max[0] < a)
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max[0] = a;
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}
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} else
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keep_going = true;
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if ((max[0] != size) || (min[1] > a) || (max[1] < a)) {
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point[0] = grid * size;
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point[1] = grid * a;
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point[2] = 0.0F;
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transform33f3f(oss->system, point, point);
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add3f(oss->origin, point, point);
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if (ObjectMapStateContainsPoint(oms, point)) {
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keep_going = true;
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if (max[0] < size)
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max[0] = size;
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if (min[1] > a)
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min[1] = a;
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if (max[1] < a)
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max[1] = a;
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}
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} else
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keep_going = true;
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if ((min[0] != minus_size) || (min[1] > a) || (max[1] < a)) {
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point[0] = grid * minus_size;
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point[1] = grid * a;
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point[2] = 0.0F;
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transform33f3f(oss->system, point, point);
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add3f(oss->origin, point, point);
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if (ObjectMapStateContainsPoint(oms, point)) {
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keep_going = true;
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if (min[0] > minus_size)
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min[0] = minus_size;
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if (min[1] > a)
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min[1] = a;
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if (max[1] < a)
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max[1] = a;
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}
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} else
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keep_going = true;
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}
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if (keep_going)
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min_expand = 0; /* if we've hit, then don't keep searching blindly */
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size++;
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}
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oss->max[0] = max[0];
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oss->max[1] = max[1];
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oss->min[0] = min[0];
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oss->min[1] = min[1];
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}
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/* now confirm that storage is available */
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if (ok) {
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int n_alloc =
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(1 + oss->max[0] - oss->min[0]) * (1 + oss->max[1] - oss->min[1]);
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oss->points.resize(n_alloc);
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oss->values.resize(n_alloc);
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oss->colors.resize(n_alloc);
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oss->flags.resize(n_alloc);
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if (!(!oss->points.empty() && !oss->values.empty() && !oss->flags.empty())) {
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ok = false;
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PRINTFB(I->G, FB_ObjectSlice, FB_Errors)
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"ObjectSlice-Error: allocation failed\n" ENDFB(I->G);
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}
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if (oss->strips.empty()) /* this is range-checked during use */
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oss->strips.resize(n_alloc);
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oss->n_points = n_alloc;
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}
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/* generate the coordinates */
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if (ok) {
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auto* point_glm = oss->points.data();
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for (int y = min[1]; y <= max[1]; y++) {
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for (int x = min[0]; x <= max[0]; x++) {
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*point_glm = glm::vec3(grid * x, grid * y, 0.0f);
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auto point = glm::value_ptr(*point_glm);
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transform33f3f(oss->system, point, point);
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add3f(oss->origin, point, point);
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point_glm++;
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}
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}
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}
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/* interpolate and flag the points inside the map */
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if (ok) {
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auto points_ptr_f = glm::value_ptr(oss->points.front());
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ObjectMapStateInterpolate(oms, points_ptr_f, oss->values.data(),
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oss->flags.data(), oss->n_points);
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}
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/* apply the height scale (if nonzero) */
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if (ok) {
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if (SettingGet_b(
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I->G, nullptr, I->Setting.get(), cSetting_slice_height_map)) {
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float height_scale = SettingGet_f(
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I->G, nullptr, I->Setting.get(), cSetting_slice_height_scale);
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float* value = oss->values.data();
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float up[3], scaled[3], factor;
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auto* point = oss->points.data();
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need_normals = true;
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up[0] = oss->system[2];
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up[1] = oss->system[5];
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up[2] = oss->system[8];
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for (int y = min[1]; y <= max[1]; y++) {
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for (int x = min[0]; x <= max[0]; x++) {
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factor = ((*value - oss->MapMean) / oss->MapStdev) * height_scale;
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scale3f(up, factor, scaled);
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auto point_ptr = glm::value_ptr(*point);
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add3f(scaled, point_ptr, point_ptr);
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point++;
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value++;
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}
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}
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/* TODO: For all edge points, move them onto the closest outline line,
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* generated by GenerateOutlineOfSlice */
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}
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}
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/* now generate efficient triangle strips based on the points that are present
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* in the map */
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if (ok) {
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int cols = 1 + max[0] - min[0];
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int flag00, flag01, flag10, flag11;
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int offset = 0, offset00, offset01, offset10, offset11;
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int strip_active = false;
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int n = 0;
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for (int y = min[1]; y < max[1]; y++) {
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offset00 = offset;
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for (int x = min[0]; x < max[0]; x++) {
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offset01 = offset00 + 1;
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offset10 = offset00 + cols;
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offset11 = offset10 + 1;
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flag00 = oss->flags[offset00];
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flag01 = oss->flags[offset01];
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flag10 = oss->flags[offset10];
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flag11 = oss->flags[offset11];
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/* first triangle - forward handedness: 10 00 11 */
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if (strip_active) {
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if (flag10 && flag00 && flag11) {
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|
/* continue current strip */
|
|
|
|
VecCheck(oss->strips, n);
|
|
oss->strips[n] = offset10;
|
|
n++;
|
|
} else {
|
|
/* terminate current strip */
|
|
|
|
VecCheck(oss->strips, n);
|
|
oss->strips[n] = STOP_STRIP;
|
|
strip_active = false;
|
|
n++;
|
|
}
|
|
} else if (flag10 & flag00 && flag11) {
|
|
/* start a new strip with correct parity */
|
|
|
|
VecCheck(oss->strips, n + 3);
|
|
oss->strips[n] = START_STRIP;
|
|
oss->strips[n + 1] = offset10;
|
|
oss->strips[n + 2] = offset00;
|
|
oss->strips[n + 3] = offset11;
|
|
n += 4;
|
|
strip_active = true;
|
|
}
|
|
|
|
/* second triangle -- reverse handedness: 00 11 01 */
|
|
|
|
if (strip_active) {
|
|
if (flag00 && flag11 && flag01) {
|
|
/* continue current strip */
|
|
VecCheck(oss->strips, n);
|
|
oss->strips[n] = offset01;
|
|
n++;
|
|
} else {
|
|
/* terminate current strip */
|
|
VecCheck(oss->strips, n);
|
|
oss->strips[n] = STOP_STRIP;
|
|
strip_active = false;
|
|
n++;
|
|
}
|
|
} else if (flag00 & flag11 && flag01) {
|
|
/* singleton triangle -- improper order for strip */
|
|
|
|
VecCheck(oss->strips, n + 5);
|
|
oss->strips[n + 0] = START_STRIP;
|
|
oss->strips[n + 1] = offset11;
|
|
oss->strips[n + 2] = offset00;
|
|
oss->strips[n + 3] = offset01;
|
|
oss->strips[n + 4] = STOP_STRIP;
|
|
n += 5;
|
|
}
|
|
offset00++;
|
|
}
|
|
if (strip_active) {
|
|
/* terminate current strip */
|
|
VecCheck(oss->strips, n);
|
|
oss->strips[n] = STOP_STRIP;
|
|
strip_active = false;
|
|
n++;
|
|
}
|
|
offset += cols;
|
|
}
|
|
VecCheck(oss->strips, n);
|
|
n++;
|
|
oss->n_strips = n;
|
|
}
|
|
|
|
/* compute triangle normals if we need them */
|
|
|
|
if (!need_normals) {
|
|
oss->normals.clear();
|
|
} else {
|
|
|
|
oss->normals.resize(oss->n_points);
|
|
std::vector<int> count(oss->n_points);
|
|
|
|
if (!count.empty() && !oss->normals.empty()) {
|
|
int* strip = oss->strips.data();
|
|
auto* point = glm::value_ptr(oss->points.front());
|
|
auto* normal = glm::value_ptr(oss->normals.front());
|
|
int n = oss->n_strips;
|
|
int offset0 = 0, offset1 = 0, offset2, offset;
|
|
int strip_active = false;
|
|
int tri_count = 0;
|
|
|
|
float d1[3], d2[3], cp[3];
|
|
std::fill_n(oss->normals.begin(), oss->n_points, glm::vec3(0.0f));
|
|
|
|
for (int a = 0; a < n; a++) {
|
|
offset = *(strip++);
|
|
switch (offset) {
|
|
case START_STRIP:
|
|
strip_active = true;
|
|
tri_count = 0;
|
|
break;
|
|
case STOP_STRIP:
|
|
strip_active = false;
|
|
break;
|
|
default:
|
|
if (strip_active) {
|
|
tri_count++;
|
|
offset2 = offset1;
|
|
offset1 = offset0;
|
|
offset0 = offset;
|
|
|
|
if (tri_count >= 3) {
|
|
|
|
if (tri_count & 0x1) { /* get the handedness right ... */
|
|
subtract3f(point + 3 * offset1, point + 3 * offset0, d1);
|
|
subtract3f(point + 3 * offset2, point + 3 * offset1, d2);
|
|
} else {
|
|
subtract3f(point + 3 * offset0, point + 3 * offset1, d1);
|
|
subtract3f(point + 3 * offset2, point + 3 * offset0, d2);
|
|
}
|
|
cross_product3f(d2, d1, cp);
|
|
normalize3f(cp);
|
|
add3f(cp, normal + 3 * offset0, normal + 3 * offset0);
|
|
add3f(cp, normal + 3 * offset1, normal + 3 * offset1);
|
|
add3f(cp, normal + 3 * offset2, normal + 3 * offset2);
|
|
count[offset0]++;
|
|
count[offset1]++;
|
|
count[offset2]++;
|
|
}
|
|
}
|
|
}
|
|
}
|
|
|
|
{ /* now normalize the average normals for active vertices */
|
|
auto* normal = glm::value_ptr(oss->normals.front());
|
|
int curr_count{};
|
|
for (int y = min[1]; y <= max[1]; y++) {
|
|
for (int x = min[0]; x <= max[0]; x++) {
|
|
if (count[curr_count]) {
|
|
normalize3f(normal);
|
|
}
|
|
curr_count++;
|
|
}
|
|
}
|
|
}
|
|
}
|
|
}
|
|
}
|
|
|
|
void ObjectSlice::update()
|
|
{
|
|
auto I = this;
|
|
bool invalidate = false;
|
|
for (auto& ossRef : I->State) {
|
|
auto* oss = &ossRef;
|
|
if (!oss->Active || !oss->RefreshFlag) {
|
|
continue;
|
|
}
|
|
auto* map = ExecutiveFindObjectMapByName(I->G, oss->MapName);
|
|
if (!map) {
|
|
PRINTFB(I->G, FB_ObjectSlice, FB_Errors)
|
|
"ObjectSliceUpdate-Error: map '%s' has been deleted.\n",
|
|
oss->MapName ENDFB(I->G);
|
|
continue;
|
|
}
|
|
auto* oms = ObjectMapGetState(map, oss->MapState);
|
|
if (!oms) {
|
|
continue;
|
|
}
|
|
oss->RefreshFlag = false;
|
|
PRINTFB(I->G, FB_ObjectSlice, FB_Blather)
|
|
" ObjectSlice: updating \"%s\".\n", I->Name ENDFB(I->G);
|
|
if (oms->Field) {
|
|
ObjectSliceStateUpdate(I, oss, oms);
|
|
auto ogr = ColorGetRamp(I->G, I->Color);
|
|
if (ogr) {
|
|
ObjectSliceStateAssignColors(oss, ogr);
|
|
} else { /* solid color */
|
|
auto solid = glm::make_vec3(ColorGet(I->G, I->Color));
|
|
for (int a = 0; a < oss->n_points; a++) {
|
|
oss->colors[a] = solid;
|
|
}
|
|
}
|
|
invalidate = true;
|
|
}
|
|
}
|
|
if (invalidate) {
|
|
SceneInvalidate(I->G);
|
|
}
|
|
}
|
|
|
|
void ObjectSliceDrag(
|
|
ObjectSlice* I, int state, int mode, float* pt, float* mov, float* z_dir)
|
|
{
|
|
ObjectSliceState* oss = nullptr;
|
|
|
|
if (state >= 0)
|
|
if (state < I->State.size())
|
|
if (I->State[state].Active)
|
|
oss = &I->State[state];
|
|
|
|
if (oss) {
|
|
switch (mode) {
|
|
case cButModeRotFrag: /* rotated about origin */
|
|
case cButModeRotObj: {
|
|
float v3[3];
|
|
float n0[3];
|
|
float n1[3];
|
|
float n2[3];
|
|
float cp[3];
|
|
float mat[9];
|
|
float theta;
|
|
|
|
copy3f(oss->origin, v3);
|
|
|
|
subtract3f(pt, v3, n0);
|
|
add3f(pt, mov, n1);
|
|
subtract3f(n1, v3, n1);
|
|
|
|
normalize3f(n0);
|
|
normalize3f(n1);
|
|
cross_product3f(n0, n1, cp);
|
|
|
|
theta = (float) asin(length3f(cp));
|
|
|
|
normalize23f(cp, n2);
|
|
|
|
rotation_matrix3f(theta, n2[0], n2[1], n2[2], mat);
|
|
|
|
multiply33f33f(mat, oss->system, oss->system);
|
|
|
|
I->invalidate(cRepSlice, cRepInvAll, state);
|
|
SceneInvalidate(I->G);
|
|
|
|
} break;
|
|
case cButModeMovFrag: /* move along "up" direction */
|
|
case cButModeMovFragZ:
|
|
case cButModeMovObj:
|
|
case cButModeMovObjZ: {
|
|
float up[3], v1[3];
|
|
up[0] = oss->system[2];
|
|
up[1] = oss->system[5];
|
|
up[2] = oss->system[8];
|
|
|
|
project3f(mov, up, v1);
|
|
add3f(v1, oss->origin, oss->origin);
|
|
I->invalidate(cRepSlice, cRepInvAll, state);
|
|
SceneInvalidate(I->G);
|
|
} break;
|
|
case cButModeTorFrag:
|
|
break;
|
|
}
|
|
}
|
|
}
|
|
|
|
int ObjectSliceGetVertex(ObjectSlice* I, int index, int base, float* v)
|
|
{
|
|
int state = index - 1;
|
|
int offset = base - 1;
|
|
int result = false;
|
|
|
|
ObjectSliceState* oss = nullptr;
|
|
|
|
if (state >= 0)
|
|
if (state < I->State.size())
|
|
if (I->State[state].Active)
|
|
oss = &I->State[state];
|
|
|
|
if (oss) {
|
|
if ((offset >= 0) && (offset < oss->n_points))
|
|
if (oss->flags[offset]) {
|
|
copy3f(glm::value_ptr(oss->points[offset]), v);
|
|
result = true;
|
|
}
|
|
}
|
|
return (result);
|
|
}
|
|
|
|
#if 0
|
|
static int ObjectSliceAddSlicePoint(float *pt0, float *pt1, float *zaxis, float d,
|
|
float *coords, float *origin)
|
|
{
|
|
|
|
float p0[3];
|
|
float p1[3];
|
|
float u;
|
|
|
|
p0[0] = pt0[0] - origin[0];
|
|
p0[1] = pt0[1] - origin[1];
|
|
p0[2] = pt0[2] - origin[2];
|
|
p1[0] = pt1[0] - origin[0];
|
|
p1[1] = pt1[1] - origin[1];
|
|
p1[2] = pt1[2] - origin[2];
|
|
|
|
u = (zaxis[0]*p0[0] + zaxis[1]*p0[1] + zaxis[2]*p0[2] + d) /
|
|
(zaxis[0]*(p0[0]-p1[0]) + zaxis[1]*(p0[1]-p1[1]) + zaxis[2]*(p0[2]-p1[2]));
|
|
|
|
if (u>=0.0F && u<=1.0F) {
|
|
coords[0] = pt0[0] + (pt1[0]-pt0[0])*u;
|
|
coords[1] = pt0[1] + (pt1[1]-pt0[1])*u;
|
|
coords[2] = pt0[2] + (pt1[2]-pt0[2])*u;
|
|
return 3;
|
|
}
|
|
return 0;
|
|
}
|
|
|
|
#ifndef PURE_OPENGL_ES_2
|
|
static
|
|
void ObjectSliceDrawSlice(CGO *cgo, float *points, int n_points, float *zaxis)
|
|
{
|
|
float center[3], v[3], w[3], q[3];
|
|
float angles[12];
|
|
float a, c, s;
|
|
int vertices[12];
|
|
int i, j;
|
|
|
|
if (!n_points) return;
|
|
|
|
// Calculate the polygon center
|
|
center[0] = center[1] = center[2] = 0.0;
|
|
|
|
for (i=0; i<3*n_points; i+=3) {
|
|
center[0] += points[i];
|
|
center[1] += points[i+1];
|
|
center[2] += points[i+2];
|
|
}
|
|
|
|
center[0] /= (float)n_points;
|
|
center[1] /= (float)n_points;
|
|
center[2] /= (float)n_points;
|
|
|
|
v[0] = points[0]-center[0];
|
|
v[1] = points[1]-center[1];
|
|
v[2] = points[2]-center[2];
|
|
|
|
normalize3f(v);
|
|
|
|
// Sort vertices by rotation angle around the central axis
|
|
for (i=0; i<n_points; i++) {
|
|
w[0] = points[3*i]-center[0];
|
|
w[1] = points[3*i+1]-center[1];
|
|
w[2] = points[3*i+2]-center[2];
|
|
normalize3f(w);
|
|
cross_product3f(v, w, q);
|
|
c = dot_product3f(v, w);
|
|
s = dot_product3f(zaxis, q);
|
|
a = atan2(s, c);
|
|
if (a < 0.0f) a += 2.0f * PI;
|
|
j = i-1;
|
|
while (j>=0 && angles[j]>a) {
|
|
angles[j+1] = angles[j];
|
|
vertices[j+1] = vertices[j];
|
|
j--;
|
|
}
|
|
angles[j+1] = a;
|
|
vertices[j+1] = i;
|
|
}
|
|
|
|
// Now the vertices are sorted so draw the polygon
|
|
if (cgo){
|
|
CGOBegin(cgo, GL_LINE_LOOP);
|
|
for (i=0; i<n_points; i++) {
|
|
CGOVertexv(cgo, &points[3*vertices[(i)%n_points]]);
|
|
}
|
|
CGOEnd(cgo);
|
|
} else {
|
|
glBegin(GL_LINE_LOOP);
|
|
for (i=0; i<n_points; i++) {
|
|
glVertex3fv(&points[3*vertices[(i)%n_points]]);
|
|
}
|
|
glEnd();
|
|
}
|
|
}
|
|
|
|
static
|
|
void GenerateOutlineOfSlice(PyMOLGlobals *G, ObjectSliceState *oss, CGO *cgo){
|
|
int n_points = oss->outline_n_points;
|
|
float *points = oss->outline_points;
|
|
float *m = SceneGetMatrix(G);
|
|
float *zaxis = oss->outline_zaxis, *origin;//, origin[3];
|
|
float d = 0.f; // not sure what this should be
|
|
if (!oss->outline_n_points){
|
|
zaxis[0] = m[2];
|
|
zaxis[1] = m[6];
|
|
zaxis[2] = m[10];
|
|
/*
|
|
origin[0] = oss->Corner[0] + 0.5*(oss->Corner[21]-oss->Corner[0]);
|
|
origin[1] = oss->Corner[1] + 0.5*(oss->Corner[22]-oss->Corner[1]);
|
|
origin[2] = oss->Corner[2] + 0.5*(oss->Corner[23]-oss->Corner[2]);
|
|
*/
|
|
origin = oss->origin;
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[0],&oss->Corner[3],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[3],&oss->Corner[9],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[9],&oss->Corner[6],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[6],&oss->Corner[0],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[12],&oss->Corner[15],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[15],&oss->Corner[21],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[21],&oss->Corner[18],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[18],&oss->Corner[12],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[0],&oss->Corner[12],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[3],&oss->Corner[15],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[9],&oss->Corner[21],zaxis,d,&points[n_points], origin);
|
|
n_points += ObjectSliceAddSlicePoint(&oss->Corner[6],&oss->Corner[18],zaxis,d,&points[n_points], origin);
|
|
oss->outline_n_points = n_points;
|
|
}
|
|
if (cgo){
|
|
CGOColor(cgo, 1.f, 0.f, 0.f );
|
|
CGOSphere(cgo, origin, 1.f);
|
|
CGOColor(cgo, 1.f, 1.f, 1.f );
|
|
} else {
|
|
glColor3f(1.f,1.f,1.f);
|
|
}
|
|
ObjectSliceDrawSlice(cgo, points, n_points/3, zaxis);
|
|
}
|
|
#endif // PURE_OPENGL_ES_2
|
|
#endif // 0
|
|
|
|
static float GetObjectSliceAlpha(PyMOLGlobals* G, ObjectSlice* I)
|
|
{
|
|
auto alpha =
|
|
SettingGet<float>(G, nullptr, I->Setting.get(), cSetting_transparency);
|
|
alpha = 1.0f - alpha;
|
|
if (fabs(alpha - 1.0) < R_SMALL4) {
|
|
alpha = 1.0f;
|
|
}
|
|
return alpha;
|
|
}
|
|
|
|
void ObjectSliceStateRenderRay(ObjectSlice* I, ObjectSliceState* oss, RenderInfo* info)
|
|
{
|
|
auto G = I->G;
|
|
auto* ray = info->ray;
|
|
auto alpha = GetObjectSliceAlpha(G, I);
|
|
ray->transparentf(1.0f - alpha);
|
|
if ((I->visRep & cRepSliceBit)) {
|
|
auto* point = glm::value_ptr(oss->points.front());
|
|
auto* color = glm::value_ptr(oss->colors.front());
|
|
int strip_active = false;
|
|
int tri_count = 0;
|
|
|
|
float normal[3] {oss->system[2], oss->system[5], oss->system[8]};
|
|
auto* n0 = normal;
|
|
auto* n1 = normal;
|
|
auto* n2 = normal;
|
|
|
|
int offset0 = 0, offset1 = 0, offset2;
|
|
for (int a = 0; a < oss->n_strips; a++) {
|
|
auto offset = oss->strips[a];
|
|
switch (offset) {
|
|
case START_STRIP:
|
|
strip_active = true;
|
|
tri_count = 0;
|
|
break;
|
|
case STOP_STRIP:
|
|
strip_active = false;
|
|
break;
|
|
default:
|
|
if (strip_active) {
|
|
tri_count++;
|
|
offset2 = offset1;
|
|
offset1 = offset0;
|
|
offset0 = offset;
|
|
|
|
if (tri_count >= 3) {
|
|
|
|
if (!oss->normals.empty()) {
|
|
n0 = glm::value_ptr(oss->normals[offset0]);
|
|
n1 = glm::value_ptr(oss->normals[offset1]);
|
|
n2 = glm::value_ptr(oss->normals[offset2]);
|
|
}
|
|
|
|
if (tri_count & 0x1) { /* get the handedness right ... */
|
|
ray->triangle3fv(point + 3 * offset0, point + 3 * offset1,
|
|
point + 3 * offset2, n0, n1, n2, color + 3 * offset0,
|
|
color + 3 * offset1, color + 3 * offset2);
|
|
} else {
|
|
ray->triangle3fv(point + 3 * offset1, point + 3 * offset0,
|
|
point + 3 * offset2, n1, n0, n2, color + 3 * offset1,
|
|
color + 3 * offset0, color + 3 * offset2);
|
|
}
|
|
}
|
|
}
|
|
break;
|
|
}
|
|
}
|
|
}
|
|
ray->transparentf(0.0);
|
|
}
|
|
|
|
void ObjectSliceRenderRasterImmediate(
|
|
ObjectSlice* I, ObjectSliceState* oss, RenderInfo* info, int state)
|
|
{
|
|
#ifndef PURE_OPENGL_ES_2
|
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auto* G = I->G;
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auto* pick = info->pick;
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Picking p;
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SceneSetupGLPicking(G);
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p.context.object = I;
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p.context.state = 0;
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p.src.index = state + 1;
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p.src.bond = 0;
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if ((I->visRep & cRepSliceBit)) {
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int* strip = oss->strips.data();
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auto* point = glm::value_ptr(oss->points.front());
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int n = oss->n_strips;
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int offset0 = 0, offset1 = 0, offset2, offset;
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int strip_active = false;
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int tri_count = 0;
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for (int a = 0; a < n; a++) {
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offset = *(strip++);
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switch (offset) {
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case START_STRIP:
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if (!strip_active) {
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glBegin(GL_TRIANGLES);
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}
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strip_active = true;
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tri_count = 0;
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break;
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case STOP_STRIP:
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if (strip_active)
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glEnd();
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strip_active = false;
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break;
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default:
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if (strip_active) {
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tri_count++;
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offset2 = offset1;
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offset1 = offset0;
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offset0 = offset;
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if (tri_count >= 3) {
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unsigned char color[4];
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AssignNewPickColor(nullptr, pick, color, &I->context,
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p.src.index, p.src.bond);
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glColor4ubv(color);
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if (tri_count &
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0x1) { /* get the handedness right ... */
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glVertex3fv(point + 3 * offset0);
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glVertex3fv(point + 3 * offset1);
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glVertex3fv(point + 3 * offset2);
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} else {
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glVertex3fv(point + 3 * offset1);
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glVertex3fv(point + 3 * offset0);
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glVertex3fv(point + 3 * offset2);
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}
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p.src.bond = offset0 + 1;
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}
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}
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break;
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}
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}
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if (strip_active) { /* just in case */
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glEnd();
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}
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}
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#endif
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}
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/**
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* @brief Generates the Slice state's CGO for rendering
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* @param I slice object
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* @param oss slice object state
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* @param track_camera flag for if camera tracking is enabled
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* @param use_shaders flag for if shaders are enabled
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* @param state state requested for rendering
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*/
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void ObjectSliceStateGenerateCGO(ObjectSlice* I, ObjectSliceState* oss,
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bool track_camera, bool use_shaders, float alpha, int state)
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{
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auto G = I->G;
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oss->shaderCGO.reset(CGONew(G));
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SceneResetNormalCGO(G, oss->shaderCGO.get(), false);
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ObjectUseColorCGO(oss->shaderCGO.get(), I);
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if ((I->visRep & cRepSliceBit)) {
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auto* point = glm::value_ptr(oss->points.front());
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auto* color = glm::value_ptr(oss->colors.front());
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int n = oss->n_strips;
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int strip_active = false;
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{
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float normal[3];
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normal[0] = oss->system[2];
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normal[1] = oss->system[5];
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normal[2] = oss->system[8];
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CGONormalv(oss->shaderCGO.get(), normal);
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}
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for (int a = 0; a < n; a++) {
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auto offset = oss->strips[a];
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switch (offset) {
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case START_STRIP:
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if (!strip_active) {
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CGOBegin(oss->shaderCGO.get(), GL_TRIANGLE_STRIP);
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}
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strip_active = true;
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break;
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case STOP_STRIP:
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if (strip_active) {
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CGOEnd(oss->shaderCGO.get());
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}
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strip_active = false;
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break;
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default:
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if (strip_active) {
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auto* col = color + 3 * offset;
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if (!oss->normals.empty()) {
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auto* vnormal = glm::value_ptr(oss->normals[offset]);
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CGONormalv(oss->shaderCGO.get(), vnormal);
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}
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CGOAlpha(oss->shaderCGO.get(), alpha);
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CGOColor(oss->shaderCGO.get(), col[0], col[1], col[2]);
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CGOPickColor(oss->shaderCGO.get(), state + 1, offset + 1);
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CGOVertexv(oss->shaderCGO.get(), point + 3 * offset);
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}
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break;
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}
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}
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if (strip_active) { /* just in case */
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CGOEnd(oss->shaderCGO.get());
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}
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}
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CGOStop(oss->shaderCGO.get());
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if (use_shaders) {
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oss->shaderCGO.reset(CGOOptimizeToVBONotIndexed(oss->shaderCGO.get()));
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assert(oss->shaderCGO->use_shader);
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}
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// any time cgo is re-generated, needs to invalidate so
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// pick colors can be re-assigned
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SceneInvalidatePicking(G);
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}
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/**
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* @brief Performs any necessary state and object-level updates before
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* rendering
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* @param slice the slice object
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* @param state the requested state to be rendered
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* @param track_camera flag for if camera tracking is enabled
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*/
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void ObjectSliceCheckPreRenderUpdate(
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ObjectSlice& slice, int state, bool track_camera)
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{
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auto G = slice.G;
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bool dynamic_grid = SettingGet<bool>(
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G, nullptr, slice.Setting.get(), cSetting_slice_dynamic_grid);
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if (!(track_camera || dynamic_grid)) {
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return;
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}
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int update_flag = false;
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for (auto oss_state : StateIteratorV2(&slice, state)) {
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auto& oss = slice.State[oss_state];
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SceneViewType view;
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float pos[3];
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SceneGetCenter(G, pos);
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SceneGetView(G, view);
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if (track_camera) { // Regenerate every frame
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if ((diffsq3f(pos, oss.origin) > R_SMALL8) ||
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(diffsq3f(view, oss.system) > R_SMALL8) ||
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(diffsq3f(view + 4, oss.system + 3) > R_SMALL8) ||
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(diffsq3f(view + 8, oss.system + 6) > R_SMALL8)) {
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copy3f(pos, oss.origin);
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copy3f(view, oss.system);
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copy3f(view + 4, oss.system + 3);
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copy3f(view + 8, oss.system + 6);
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oss.RefreshFlag = true;
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update_flag = true;
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}
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}
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if (dynamic_grid && (!update_flag)) {
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float scale = SceneGetScreenVertexScale(G, oss.origin);
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if (fabs(scale - oss.last_scale) > R_SMALL4) {
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update_flag = true;
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oss.RefreshFlag = true;
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}
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}
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}
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slice.update();
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}
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void ObjectSlice::render(RenderInfo* info)
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{
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auto I = this;
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int state = info->state;
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CRay* ray = info->ray;
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auto pick = info->pick;
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const RenderPass pass = info->pass;
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auto alpha = GetObjectSliceAlpha(I->G, I);
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auto track_camera = IsTrackCameraEnabled(*I);
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auto use_shaders =
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!track_camera &&
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SettingGet<bool>(G, nullptr, I->Setting.get(), cSetting_use_shaders);
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// just in case, since slice uses immediate mode, but this should never happen
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G->ShaderMgr->Disable_Current_Shader();
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// TODO: Track camera on uses immediate mode OpenGL calls. Similar to Volume slices,
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// we could generate the slice geometry on the fly and upload them to the GPU every frame
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// from host-visible memory using the same indirect indexed buffer approach.
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ObjectSliceCheckPreRenderUpdate(*I, state, track_camera);
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ObjectPrepareContext(I, info);
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for (auto oss_state : StateIteratorV2(I, state)) {
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auto oss = &I->State[oss_state];
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if (!oss->Active) {
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continue;
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}
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if (ray) {
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ObjectSliceStateRenderRay(I, oss, info);
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continue;
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}
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if (!(G->HaveGUI && G->ValidContext)) {
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continue;
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}
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if (pick) {
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if (oss->shaderCGO && (I->visRep & cRepSliceBit)) {
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CGORenderPicking(oss->shaderCGO.get(), info, &I->context,
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I->Setting.get(), nullptr);
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} else {
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ObjectSliceRenderRasterImmediate(I, oss, info, state);
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}
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continue;
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}
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int render_now = false;
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if (alpha > 0.0001) {
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render_now = (pass == RenderPass::Transparent);
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} else {
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render_now = pass == RenderPass::Antialias;
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}
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if (!render_now) {
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continue;
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}
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if (!oss->shaderCGO) {
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ObjectSliceStateGenerateCGO(I, oss, track_camera, use_shaders, alpha, state);
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}
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CGORender(oss->shaderCGO.get(), nullptr, nullptr,
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I->Setting.get(), info, nullptr);
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}
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}
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/*========================================================================*/
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int ObjectSlice::getNFrame() const
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{
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return State.size();
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}
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ObjectSliceState* ObjectSliceStateGetActive(ObjectSlice* I, int state)
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{
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ObjectSliceState* ms = nullptr;
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if (state >= 0) {
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if (state < I->State.size()) {
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ms = &I->State[state];
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if (!ms->Active)
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ms = nullptr;
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}
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}
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return (ms);
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}
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/*========================================================================*/
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ObjectSlice::ObjectSlice(PyMOLGlobals* G)
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: pymol::CObject(G)
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{
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auto I = this;
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I->type = cObjectSlice;
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I->context.object = I;
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I->context.state = 0;
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}
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pymol::CObject* ObjectSlice::clone() const
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{
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return new ObjectSlice(*this);
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}
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/*========================================================================*/
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ObjectSlice* ObjectSliceFromMap(
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PyMOLGlobals* G, ObjectSlice* obj, ObjectMap* map, int state, int map_state)
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{
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ObjectSlice* I;
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ObjectSliceState* oss;
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ObjectMapState* oms;
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if (!obj) {
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I = new ObjectSlice(G);
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} else {
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I = obj;
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}
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if (state < 0)
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state = I->State.size();
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if (I->State.size() <= state) {
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VecCheckEmplace(I->State, state, G);
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}
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oss = &I->State[state];
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oss->MapState = map_state;
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oms = ObjectMapGetState(map, map_state);
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if (oms) {
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oss->points.clear();
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oss->values.clear();
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oss->flags.clear();
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{
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float tmp[3];
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if (ObjectMapStateGetExcludedStats(G, oms, nullptr, 0.0F, 0.0F, tmp)) {
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oss->MapMean = tmp[1];
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oss->MapStdev = tmp[2] - tmp[1];
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} else {
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oss->MapMean = 0.0F;
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oss->MapStdev = 1.0F;
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}
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}
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/* simply copy the extents from the map -- not quite correct, but probably
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* good enough */
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memcpy(oss->ExtentMin, oms->ExtentMin, 3 * sizeof(float));
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memcpy(oss->ExtentMax, oms->ExtentMax, 3 * sizeof(float));
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memcpy(oss->Corner.data(), oms->Corner, 24 * sizeof(float));
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}
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strcpy(oss->MapName, map->Name);
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oss->ExtentFlag = true;
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/* set the origin of the slice to the center of the map */
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average3f(oss->ExtentMin, oss->ExtentMax, oss->origin);
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/* set the slice's system matrix to the current camera rotation matrix */
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{
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SceneViewType view;
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SceneGetView(G, view);
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copy3f(view, oss->system);
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copy3f(view + 4, oss->system + 3);
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copy3f(view + 8, oss->system + 6);
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}
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oss->RefreshFlag = true;
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if (I) {
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ObjectSliceRecomputeExtent(I);
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}
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I->ExtentFlag = true;
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SceneChanged(G);
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SceneCountFrames(G);
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return (I);
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}
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/*========================================================================*/
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void ObjectSliceRecomputeExtent(ObjectSlice* I)
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{
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int extent_flag = false;
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int a;
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ObjectSliceState* ms;
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for (a = 0; a < I->State.size(); a++) {
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ms = &I->State[a];
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if (ms->Active) {
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if (ms->ExtentFlag) {
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if (!extent_flag) {
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extent_flag = true;
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copy3f(ms->ExtentMax, I->ExtentMax);
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copy3f(ms->ExtentMin, I->ExtentMin);
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} else {
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max3f(ms->ExtentMax, I->ExtentMax, I->ExtentMax);
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min3f(ms->ExtentMin, I->ExtentMin, I->ExtentMin);
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}
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}
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}
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}
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I->ExtentFlag = extent_flag;
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}
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