/* A* ------------------------------------------------------------------- B* This file contains source code for the PyMOL computer program C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific. D* ------------------------------------------------------------------- E* It is unlawful to modify or remove this copyright notice. F* ------------------------------------------------------------------- G* Please see the accompanying LICENSE file for further information. H* ------------------------------------------------------------------- I* Additional authors of this source file include: -* -* -* Z* ------------------------------------------------------------------- */ #include"os_python.h" #include"os_predef.h" #include"os_gl.h" #include"os_std.h" #include"main.h" #include"PyMOLObject.h" #include"Color.h" #include"Ortho.h" #include"Scene.h" #include"Util.h" #include"Ray.h" #include"PConv.h" #include"Matrix.h" #include"MemoryDebug.h" #include"Movie.h" #include"View.h" #include"Err.h" #include "Feedback.h" #include"Executive.h" #include"CGO.h" #include"Selector.h" #include"vla.h" #include"pymol/type_traits.h" void ObjectPurgeSettings(pymol::CObject * I) { I->Setting.reset(); } void ObjectMotionTrim(pymol::CObject *I, int n_frame) { if(I->ViewElem) { VLASize(I->ViewElem,CViewElem,n_frame); } } int ObjectMotionGetLength(pymol::CObject *I) { if(I->ViewElem) { return VLAGetSize(I->ViewElem); } return 0; } void ObjectMotionReinterpolate(pymol::CObject *I) { float power = SettingGet_f(I->G, nullptr, I->Setting.get(), cSetting_motion_power); float bias = SettingGet_f(I->G, nullptr, I->Setting.get(), cSetting_motion_bias); int simple = SettingGet_i(I->G, nullptr, I->Setting.get(), cSetting_motion_simple); float linear = SettingGet_f(I->G, nullptr, I->Setting.get(), cSetting_motion_linear); int hand = SettingGet_i(I->G, nullptr, I->Setting.get(), cSetting_motion_hand); /* int ObjectMotion(pymol::CObject * I, int action, int first, int last, float power, float bias, int simple, float linear, int wrap, int hand, int window, int cycles, int state, int quiet); */ ObjectMotion(I, MViewAction::Reinterpolate, -1, -1, power, bias, simple, linear, SettingGetGlobal_b(I->G,cSetting_movie_loop) ? 1 : 0, hand, 5, 1, -1, 1); } int ObjectMotionModify(pymol::CObject *I, ViewElemAction action, int index, int count,int target,int freeze,int localize) { int ok; if(I->type == cObjectGroup) { /* propagate */ ok = ExecutiveGroupMotionModify(I->G,I,action,index,count,target,freeze); } else { ok = ViewElemModify(I->G, &I->ViewElem,action,index,count,target); if(ok && I->ViewElem) { int size = VLAGetSize(I->ViewElem); int n_frame = MovieGetLength(I->G); if(n_frame != size) { /* extend entire movie */ if(!localize) ExecutiveMotionExtend(I->G,true); if((!freeze) && SettingGetGlobal_i(I->G,cSetting_movie_auto_interpolate)) { ExecutiveMotionReinterpolate(I->G); } } else if((!freeze) && SettingGetGlobal_i(I->G,cSetting_movie_auto_interpolate)) { ObjectMotionReinterpolate(I); } } } return ok; } int ObjectGetSpecLevel(pymol::CObject * I, int frame) { if(I->ViewElem) { int size = VLAGetSize(I->ViewElem); if(frame<0) { int max_level = 0; int i; for(i=0;iViewElem[i].specification_level) max_level = I->ViewElem[i].specification_level; } return max_level; } if((frame>=0) && (frameViewElem[frame].specification_level; return 0; } return -1; } void ObjectDrawViewElem(pymol::CObject *I, BlockRect *rect,int frames , CGO *orthoCGO) { if(I->ViewElem) { ViewElemDraw(I->G,I->ViewElem,rect,frames,I->Name, orthoCGO); } } int ObjectMotion(pymol::CObject * I, MViewAction action, int first, int last, float power, float bias, int simple, float linear, int wrap, int hand, int window, int cycles, int state, int quiet) { PyMOLGlobals *G = I->G; if(I->type == cObjectGroup) { /* propagate */ return ExecutiveGroupMotion(G,I,action,first,last, power,bias,simple,linear, wrap,hand,window,cycles,state,quiet); } else { int frame; int nFrame = MovieGetLength(I->G); if(wrap<0) { wrap = SettingGet_b(I->G,NULL, I->Setting.get(), cSetting_movie_loop); } if(nFrame < 0) nFrame = -nFrame; if(!I->ViewElem) { I->ViewElem = pymol::vla(0); } if (action == MViewAction::Toggle || action == MViewAction::ToggleInterp) { frame = first; if(first < 0) frame = SceneGetFrame(G); VLACheck(I->ViewElem, CViewElem, frame); if (action == MViewAction::Toggle) { if(I->ViewElem[frame].specification_level>1) { action = MViewAction::Clear; } else { action = MViewAction::Store; } } else if(action == MViewAction::ToggleInterp) { if(I->ViewElem[frame].specification_level>1) { int frame; action = MViewAction::Reinterpolate; for(frame=0;frameViewElem[frame].specification_level==1) { action = MViewAction::Uninterpolate; break; } } } else if(I->ViewElem[frame].specification_level>0) { action = MViewAction::Uninterpolate; } else { action = MViewAction::Reinterpolate; } } } if(action == MViewAction::Smooth) { int save_last = last; std::max(0, first); if(last < 0) { last = nFrame; } if(last >= nFrame) { last = nFrame - 1; } if(first <= last) { int a; VLACheck(I->ViewElem, CViewElem, last); for(a = 0; a < cycles; a++) { ViewElemSmooth(I->ViewElem + first, I->ViewElem + last, window, wrap); } } if(SettingGet_b(I->G, nullptr, I->Setting.get(), cSetting_movie_auto_interpolate)){ action = MViewAction::Reinterpolate; last = save_last; } } switch (action) { case MViewAction::Store: if(!I->TTTFlag) { float mn[3], mx[3], orig[3]; if(ExecutiveGetExtent(G, I->Name, mn, mx, true, -1, true)) { average3f(mn, mx, orig); ObjectSetTTTOrigin(I, orig); } else { initializeTTT44f(I->TTT); I->TTTFlag = true; } } if(I->ViewElem && I->TTTFlag) { if(first < 0) first = SceneGetFrame(G); if(last < 0) last = first; { int state_tmp=0, state_flag = false; if(state>=0) { state_tmp = state; state_flag = true; } else if(SettingGetIfDefined_i(G, I->Setting.get(), cSetting_state, &state_tmp)) { state_flag = true; state_tmp--; } for(frame = first; frame <= last; frame++) { if((frame >= 0) && (frame < nFrame)) { VLACheck(I->ViewElem, CViewElem, frame); if(!quiet) { PRINTFB(G, FB_Object, FB_Details) " ObjectMotion: Setting frame %d.\n", frame + 1 ENDFB(G); } TTTToViewElem(I->TTT, I->ViewElem + frame); if(state_flag) { I->ViewElem[frame].state_flag = state_flag; I->ViewElem[frame].state = state_tmp; } if(power!=0.0F) { I->ViewElem[frame].power_flag = true; I->ViewElem[frame].power = power; } if(bias > 0.0F) { I->ViewElem[frame].bias_flag = true; I->ViewElem[frame].bias = bias; } I->ViewElem[frame].specification_level = 2; } } } } break; case MViewAction::Clear: if(I->ViewElem) { if(first < 0) first = SceneGetFrame(G); if(last < 0) last = first; for(frame = first; frame <= last; frame++) { if((frame >= 0) && (frame < nFrame)) { VLACheck(I->ViewElem, CViewElem, frame); ViewElemArrayPurge(G, I->ViewElem + frame, 1); UtilZeroMem((void *) (I->ViewElem + frame), sizeof(CViewElem)); } } } break; case MViewAction::Interpolate: case MViewAction::Reinterpolate: { CViewElem *first_view = nullptr, *last_view = nullptr; int view_found = false; if(first < 0) first = 0; if(first > nFrame) { first = nFrame - 1; } if(last < 0) { last = nFrame; if(last) { if(!wrap) last--; else { int frame = 0; VLACheck(I->ViewElem, CViewElem, last); for(frame = 0; frame < last; frame++) { if(I->ViewElem[frame].specification_level > 1) { last += frame; break; } } } } } else { if(last >= nFrame) { last = nFrame; if(last && !wrap) last--; } } VLACheck(I->ViewElem, CViewElem, last); if(wrap && (last >= nFrame)) { /* if we're interpolating beyond the last frame, then wrap by copying early frames to last frames */ int a; for(a = nFrame; a <= last; a++) { ViewElemCopy(G, I->ViewElem + a - nFrame, I->ViewElem + a); } } else if(!wrap) { /* if we're not wrapping, then make sure we nuke any stray / old interpolated frames */ frame = nFrame - 1; while(frame>=0) { if(I->ViewElem[frame].specification_level > 1) break; else UtilZeroMem((void *) (I->ViewElem + frame), sizeof(CViewElem)); frame--; } } VLACheck(I->ViewElem, CViewElem, last); if(!quiet) { if (action == MViewAction::Interpolate) { if(last == nFrame) { PRINTFB(G, FB_Object, FB_Details) " ObjectMotion: interpolating unspecified frames %d to %d (wrapping).\n", first + 1, last ENDFB(G); } else { PRINTFB(G, FB_Object, FB_Details) " ObjectMotion: interpolating unspecified frames %d to %d.\n", first + 1, last + 1 ENDFB(G); } } else { if(last == nFrame) { PRINTFB(G, FB_Object, FB_Details) " ObjectMotion: reinterpolating all frames %d to %d (wrapping).\n", first + 1, last ENDFB(G); } else { PRINTFB(G, FB_Object, FB_Details) " ObjectMotion: reinterpolating all frames %d to %d.\n", first + 1, last + 1 ENDFB(G); } } } for(frame = first; frame <= last; frame++) { if(!first_view) { if(I->ViewElem[frame].specification_level == 2) { /* specified */ first_view = I->ViewElem + frame; view_found = true; } } else { CViewElem *view; int interpolate_flag = false; if(I->ViewElem[frame].specification_level == 2) { /* specified */ last_view = I->ViewElem + frame; if (action == MViewAction::Interpolate) { for(view = first_view + 1; view < last_view; view++) { if(!view->specification_level) interpolate_flag = true; } } else { interpolate_flag = true; } if(interpolate_flag) { ViewElemInterpolate(G, first_view, last_view, power, bias, simple, linear, hand, 0.0F); } first_view = last_view; last_view = nullptr; } } } if(first_view) { if(wrap && (last >= nFrame)) { /* if we're interpolating beyond the last frame, then wrap by copying the last frames back over the early frames */ int a; for(a = nFrame; a <= last; a++) { ViewElemCopy(G, I->ViewElem + a, I->ViewElem + a - nFrame); } } } if((!view_found) && (last>=first) && (first>=0) && (last<=nFrame)) { UtilZeroMem(I->ViewElem + first, sizeof(CViewElem) * (1 + (last-first))); } if(last >= nFrame) { /* now erase temporary views */ ViewElemArrayPurge(G, I->ViewElem + nFrame, (1 + last - nFrame)); UtilZeroMem((void *) (I->ViewElem + nFrame), sizeof(CViewElem) * (1 + last - nFrame)); } } break; case MViewAction::Reset: if(I->ViewElem) { VLAFreeP(I->ViewElem); } I->ViewElem = pymol::vla(0); break; case MViewAction::Uninterpolate: if(I->ViewElem) { if(first < 0) first = 0; if(last < 0) { last = nFrame - 1; } for(frame = first; frame <= last; frame++) { if((frame >= 0) && (frame <= last)) { VLACheck(I->ViewElem, CViewElem, frame); if(I->ViewElem[frame].specification_level < 2) { ViewElemArrayPurge(G, I->ViewElem + frame, 1); UtilZeroMem((void *) (I->ViewElem + frame), sizeof(CViewElem)); } } } } break; case MViewAction::Purge: if(I->ViewElem) { VLAFreeP(I->ViewElem); } break; } if(I->ViewElem) { VLASize(I->ViewElem,CViewElem,nFrame); } } return 1; } void ObjectAdjustStateRebuildRange(pymol::CObject * I, int *start, int *stop) { /* on entry, start and stop should hold the valid range for the object */ int defer_builds_mode = SettingGet_i(I->G, nullptr, I->Setting.get(), cSetting_defer_builds_mode); int async_builds = SettingGet_b(I->G, nullptr, I->Setting.get(), cSetting_async_builds); int max_threads = SettingGet_i(I->G, nullptr, I->Setting.get(), cSetting_max_threads); int all_states = SettingGet_i(I->G, nullptr, I->Setting.get(), cSetting_all_states); int dummy; if (all_states) return; if(defer_builds_mode >= 3) { if(SceneObjectIsActive(I->G, I)) defer_builds_mode = 2; } switch (defer_builds_mode) { case 1: /* defer geometry builds until needed */ case 2: /* defer and destroy continuously for increase memory conservation */ if(SettingGetIfDefined_i(I->G, I->Setting.get(), cSetting_state, &dummy)) { /* decoupled...so always build all states. Otherwise, geometry may not be there when we need it... unfortunately, this defeats the purpose of defer_builds_mode! */ } else { int min = *start; int max = *stop; int global_state = SceneGetState(I->G); int obj_state = ObjectGetCurrentState(I, false); *start = obj_state; if((obj_state != global_state) || (!async_builds) || (max_threads < 1)) { *stop = *start + 1; if(*stop > max ) *stop = max; } else { int base = (*start / max_threads); *start = (base) * max_threads; *stop = (base + 1) * max_threads; if(*start < min) *start = min; if(*start > max) *start = max; if(*stop < min) *stop = min; if(*stop > max) *stop = max; } if(*start > obj_state) *start = obj_state; if(*stop <= obj_state) *stop = obj_state + 1; if(*start < 0) *start = 0; } break; case 3: /* object not active, so do not rebuild anything */ *stop = *start; break; } } /** * Replaces invalid characters in the given object name with an underscore, * or strips them if they are terminal or sequential. * @param[in,out] name Object name to validate * @return true if name was modified, false otherwise */ bool ObjectMakeValidName(char *name) { bool modified = false; char *p = name, *q; if(p) { /* currently legal are A to Z, a to z, 0 to 9, -, _, + */ while(*p) { switch (*p) { case '+': case '-': case '.': case '^': case '_': break; default: if (('A' <= *p && *p <= 'Z') || ('a' <= *p && *p <= 'z') || ('0' <= *p && *p <= '9')) break; /* must be an ASCII-visible character */ *p = 1; /* placeholder for non-printable */ modified = true; } p++; } /* eliminate sequential and terminal nonprintables */ p = name; q = name; while(*p) { if(q == name) while(*p == 1) p++; while((*p == 1) && (p[1] == 1)) p++; *q++ = *p++; if(!p[-1]) break; } *q = 0; while(q > name) { if(q[-1] == 1) { q[-1] = 0; q--; } else break; } /* convert invalides to underscore */ p = name; while(*p) { if(*p == 1) *p = '_'; p++; } } return modified; } /** * Replaces invalid characters in `name` with an underscore, * or strips them if they are terminal or sequential - if `name` equals a reserved * selection keyword, then also append an underscore. * * @param[in,out] name Object name to validate * @param quiet If false, print warnings if the name gets modified. */ void ObjectMakeValidName(PyMOLGlobals * G, char *name, bool quiet) { if (ObjectMakeValidName(name) && !quiet) { PRINTFB(G, FB_Executive, FB_Warnings) " Warning: Invalid characters in '%s' have been replaced or stripped\n", name ENDFB(G); } if (SelectorNameIsKeyword(G, name)) { if (!quiet) { PRINTFB(G, FB_Executive, FB_Warnings) " Warning: '%s' is a reserved keyword, appending underscore\n", name ENDFB(G); } strcat(name, "_"); return; } static bool once_protein = false; static bool once_nucleic = false; if (!once_protein && strcmp(name, "protein") == 0) { once_protein = true; } else if (!once_nucleic && strcmp(name, "nucleic") == 0) { once_nucleic = true; } else { return; } { // Warn the user if "protein" or "nucleic" are used as names, but // don't modify the name (yet). PRINTFB(G, FB_Executive, FB_Warnings) " Warning: '%s' may become a reserved selection keyword in the future\n", name ENDFB(G); } } /** * Get a pointer to an object state. * @param state State (0-indexed) or -2/-3 for current state * @return nullptr if state is out of bounds or empty */ CObjectState* pymol::CObject::getObjectState(int state) { if (state == -2 /* cSelectorUpdateTableCurrentState */ || state == -3 /* cSelectorUpdateTableEffectiveStates */) { state = getCurrentState(); } if (state < 0 || state >= getNFrame()) { return nullptr; } return _getObjectState(state); } /** * Get the effective state (0-indexed) of an object, based on the `state` and * `static_singletons` settings. Will not validate the value of the `state` * setting, it could be `<0` or `>=getNFrame()`. */ int pymol::CObject::getCurrentState() const { if (getNFrame() == 1 && SettingGet(G, Setting.get(), nullptr, cSetting_static_singletons)) return 0; return SettingGet(G, Setting.get(), nullptr, cSetting_state) - 1; } /** * Like pymol::CObject::getCurrentState() but will return `-1` if the `all_states` * setting is set. * * Note: Clamps negative values at `-1` (all states). The usefulness of this * should be questioned, in particular with `ignore_all_states=true` a caller * is likely to discard all negative values, including -1. * * @param ignore_all_states Boolean flag, should be false. You most likely * should use pymol::CObject::getCurrentState() instead of setting `ignore_all_states` * to true. */ int ObjectGetCurrentState(const pymol::CObject * I, int ignore_all_states) { assert("use pymol::CObject::getCurrentState()" && !ignore_all_states); // the previous implementation (up to PyMOL 1.7.6) ignored // object-level state=0 (all states) if (!ignore_all_states && SettingGet_b(I->G, I->Setting.get(), nullptr, cSetting_all_states)) return -1; return std::max(-1, I->getCurrentState()); } PyObject *ObjectAsPyList(const pymol::CObject * I) { PyObject *result = nullptr; result = PyList_New(14); PyList_SetItem(result, 0, PyInt_FromLong(I->type)); PyList_SetItem(result, 1, PyString_FromString(I->Name)); PyList_SetItem(result, 2, PyInt_FromLong(I->Color)); PyList_SetItem(result, 3, PyInt_FromLong(I->visRep)); PyList_SetItem(result, 4, PConvFloatArrayToPyList(I->ExtentMin, 3)); PyList_SetItem(result, 5, PConvFloatArrayToPyList(I->ExtentMax, 3)); PyList_SetItem(result, 6, PyInt_FromLong(I->ExtentFlag)); PyList_SetItem(result, 7, PyInt_FromLong(I->TTTFlag)); PyList_SetItem(result, 8, SettingAsPyList(I->Setting.get())); PyList_SetItem(result, 9, PyInt_FromLong(I->Enabled)); PyList_SetItem(result, 10, PyInt_FromLong(static_cast(I->getRenderContext()))); PyList_SetItem(result, 11, PConvFloatArrayToPyList(I->TTT, 16)); if(I->ViewElem) { int nFrame = VLAGetSize(I->ViewElem); PyList_SetItem(result, 12, PyInt_FromLong(nFrame)); PyList_SetItem(result, 13, ViewElemVLAAsPyList(I->G, I->ViewElem, nFrame)); } else { PyList_SetItem(result, 12, PyInt_FromLong(0)); PyList_SetItem(result, 13, PConvAutoNone(nullptr)); } return (PConvAutoNone(result)); } int ObjectFromPyList(PyMOLGlobals * G, PyObject * list, pymol::CObject * I) { int ok = true; int ll = 0; I->G = G; if(ok) ok = (list != nullptr); if(ok) ok = PyList_Check(list); if(ok) ll = PyList_Size(list); if(ok) ok = CPythonVal_PConvPyIntToInt_From_List(G, list, 0, reinterpret_cast(&I->type)); if(ok) ok = PConvPyStrToStr(PyList_GetItem(list, 1), I->Name, WordLength); if(ok) ok = PConvPyIntToInt(PyList_GetItem(list, 2), &I->Color); if(ok) I->Color = ColorConvertOldSessionIndex(G, I->Color); if(ok) { PyObject *val = PyList_GetItem(list, 3); if(PyList_Check(val)) { ok = PConvPyListToBitmask(val, &I->visRep, cRepCnt); } else { ok = PConvPyIntToInt(val, &I->visRep); } CPythonVal_Free(val); } if(ok) ok = PConvPyListToFloatArrayInPlaceAutoZero(PyList_GetItem(list, 4), I->ExtentMin, 3); if(ok) ok = PConvPyListToFloatArrayInPlaceAutoZero(PyList_GetItem(list, 5), I->ExtentMax, 3); if(ok) ok = PConvPyIntToInt(PyList_GetItem(list, 6), &I->ExtentFlag); if(ok) ok = PConvPyIntToInt(PyList_GetItem(list, 7), &I->TTTFlag); if(ok){ CPythonVal *val = CPythonVal_PyList_GetItem(G, list, 8); I->Setting.reset(SettingNewFromPyList(G, val)); CPythonVal_Free(val); } if(ok && (ll > 9)) ok = CPythonVal_PConvPyIntToInt_From_List(G, list, 9, &I->Enabled); if(ok && (ll > 10)) { // I->Context removed. } if(ok && (ll > 11)) ok = PConvPyListToFloatArrayInPlaceAutoZero(PyList_GetItem(list, 11), I->TTT, 16); if(ok && (ll > 13)) { PyObject *tmp; int nFrame; VLAFreeP(I->ViewElem); I->ViewElem = nullptr; if(ok) ok = PConvPyIntToInt(PyList_GetItem(list, 12), &nFrame); if(ok && nFrame) { tmp = PyList_GetItem(list, 13); if(tmp && !(tmp == Py_None)) ok = ViewElemVLAFromPyList(G, tmp, &I->ViewElem, nFrame); } } /* TO SUPPORT BACKWARDS COMPATIBILITY... Always check ll when adding new PyList_GetItem's */ return (ok); } int ObjectCopyHeader(pymol::CObject * I, const pymol::CObject * src) { int ok = true; I->G = src->G; I->type = src->type; UtilNCopy(I->Name, src->Name, WordLength); I->Color = src->Color; I->visRep = src->visRep; copy3f(src->ExtentMin, I->ExtentMin); copy3f(src->ExtentMax, I->ExtentMax); I->ExtentFlag = src->ExtentFlag; I->TTTFlag = src->TTTFlag; I->Setting = src->Setting; I->Enabled = src->Enabled; { int a; for(a = 0; a < 16; a++) I->TTT[a] = src->TTT[a]; } I->ViewElem = nullptr; /* to do */ return (ok); } /*========================================================================*/ void ObjectCombineTTT(pymol::CObject * I, const float *ttt, int reverse_order, int store) { if(I->type == cObjectGroup) { ExecutiveGroupCombineTTT(I->G, I, ttt, reverse_order,store); } else { float cpy[16]; if(!I->TTTFlag) { I->TTTFlag = true; initializeTTT44f(cpy); } else { UtilCopyMem(cpy, I->TTT, sizeof(float) * 16); } if(reverse_order) { combineTTT44f44f(cpy, ttt, I->TTT); } else { combineTTT44f44f(ttt, cpy, I->TTT); } if(store<0) store = SettingGet_i(I->G, I->Setting.get(), nullptr, cSetting_movie_auto_store); if(store && MovieDefined(I->G)) { if(!I->ViewElem) I->ViewElem = pymol::vla(0); if(I->ViewElem) { /* update motion path waypoint, if active */ int frame = SceneGetFrame(I->G); if(frame >= 0) { VLACheck(I->ViewElem, CViewElem, frame); TTTToViewElem(I->TTT, I->ViewElem + frame); I->ViewElem[frame].specification_level = 2; } } } } } /*========================================================================*/ void ObjectTranslateTTT(pymol::CObject * I, const float *v, int store) { if(I->type == cObjectGroup) { ExecutiveGroupTranslateTTT(I->G, I, v, store); } else { if(!I->TTTFlag) { I->TTTFlag = true; initializeTTT44f(I->TTT); } if(v) { I->TTT[3] += v[0]; I->TTT[7] += v[1]; I->TTT[11] += v[2]; } if(store<0) store = SettingGet_i(I->G, I->Setting.get(), nullptr, cSetting_movie_auto_store); if(store && MovieDefined(I->G)) { if(!I->ViewElem) I->ViewElem = pymol::vla(0); if(I->ViewElem) { /* update motion path waypoint, if active */ int frame = SceneGetFrame(I->G); if(frame >= 0) { VLACheck(I->ViewElem, CViewElem, frame); TTTToViewElem(I->TTT, I->ViewElem + frame); I->ViewElem[frame].specification_level = 2; } } } } } /*========================================================================*/ void ObjectSetTTT(pymol::CObject * I, const float *ttt, int state, int store) { if(state < 0) { if(ttt) { UtilCopyMem(I->TTT, ttt, sizeof(float) * 16); I->TTTFlag = true; } else { I->TTTFlag = false; return; } if(store<0) store = SettingGet_i(I->G, I->Setting.get(), nullptr, cSetting_movie_auto_store); if(store && MovieDefined(I->G)) { if(!I->ViewElem) I->ViewElem = pymol::vla(0); if(I->ViewElem) { /* update motion path waypoint, if active */ int frame = SceneGetFrame(I->G); if(frame >= 0) { VLACheck(I->ViewElem, CViewElem, frame); TTTToViewElem(I->TTT, I->ViewElem + frame); I->ViewElem[frame].specification_level = 2; } } } } else { /* to do */ } } /*========================================================================*/ int ObjectGetTTT(pymol::CObject * I, const float **ttt, int state) { if(state < 0) { if(I->TTTFlag) { *ttt = I->TTT; return 1; } else { *ttt = nullptr; } } else { } return 0; } /*========================================================================*/ void ObjectResetTTT(pymol::CObject * I,int store) { I->TTTFlag = false; if(store<0) store = SettingGet_i(I->G, I->Setting.get(), nullptr, cSetting_movie_auto_store); if(store && MovieDefined(I->G)) { if(!I->ViewElem) I->ViewElem = pymol::vla(0); if(I->ViewElem) { /* update motion path waypoint, if active */ int frame = SceneGetFrame(I->G); if(frame >= 0) { identity44f(I->TTT); VLACheck(I->ViewElem, CViewElem, frame); TTTToViewElem(I->TTT, I->ViewElem + frame); I->ViewElem[frame].specification_level = 2; } } } } /*========================================================================*/ /** * Get the combined transformation of TTT and state matrix. State matrix is * only included if `history=true` or `matrix_mode > 0`. * * @param state See pymol::CObject::getObjectState * @param history Boolean flag * @param[out] matrix Homogeneous 4x4 matrix * @return True if `matrix` was populated */ int ObjectGetTotalMatrix(pymol::CObject * I, int state, int history, double *matrix) { int result = false; if(I->TTTFlag) { convertTTTfR44d(I->TTT, matrix); result = true; } if (!history) { history = SettingGet(I->G, I->Setting.get(), nullptr, cSetting_matrix_mode) > 0; } if (history) { { CObjectState* obj_state = I->getObjectState(state); if (obj_state) { if(!obj_state->Matrix.empty()) { const double *state_matrix = obj_state->Matrix.data(); if(result) { right_multiply44d44d(matrix, state_matrix); } else { copy44d(state_matrix, matrix); } result = true; } } } } return result; } /*========================================================================*/ void ObjectPrepareContext(pymol::CObject * I, RenderInfo * info) { CRay * ray = info ? info->ray : nullptr; if(I->ViewElem) { int frame = SceneGetFrame(I->G); if(frame >= 0) { VLACheck(I->ViewElem, CViewElem, frame); if(I->Grabbed) { TTTToViewElem(I->TTT, I->ViewElem + frame); I->ViewElem[frame].specification_level = 2; } else { if(I->ViewElem[frame].specification_level) { TTTFromViewElem(I->TTT, I->ViewElem + frame); I->TTTFlag = true; } if(I->ViewElem[frame].state_flag) { SettingCheckHandle(I->G, I->Setting); if(I->Setting) { /* note: this assumes that the state has already been calculated and can thus be displayed. How can we guarantee this to be true? */ SettingSet_i(I->Setting.get(),cSetting_state,I->ViewElem[frame].state + 1); } } } } } if(ray) { RaySetTTT(ray, I->TTTFlag, I->TTT); } else { PyMOLGlobals *G = I->G; if(G->HaveGUI && G->ValidContext) { if(I->TTTFlag) { /* convert the row-major TTT matrix to a column-major OpenGL matrix */ float gl[16], *ttt; ttt = I->TTT; gl[0] = ttt[0]; gl[4] = ttt[1]; gl[8] = ttt[2]; gl[12] = ttt[3]; gl[1] = ttt[4]; gl[5] = ttt[5]; gl[9] = ttt[6]; gl[13] = ttt[7]; gl[2] = ttt[8]; gl[6] = ttt[9]; gl[10] = ttt[10]; gl[14] = ttt[11]; gl[3] = 0.0; gl[7] = 0.0; gl[11] = 0.0; gl[15] = 1.0; auto mvm = SceneGetModelViewMatrixPtr(G); MatrixMultiplyC44f(gl, mvm); MatrixTranslateC44f(mvm, ttt[12], ttt[13], ttt[14]); #ifndef PURE_OPENGL_ES_2 if (ALWAYS_IMMEDIATE_OR(!info->use_shaders)) { glLoadMatrixf(mvm); } #endif } } } } /*========================================================================*/ void ObjectSetTTTOrigin(pymol::CObject * I, float *origin) { float homo[16]; float *dst; float post[3]; if(!I->TTTFlag) { I->TTTFlag = true; initializeTTT44f(I->TTT); } /* convert the existing TTT into a homogenous transformation matrix */ convertTTTfR44f(I->TTT, homo); /* now reset to the passed-in origin */ transform44f3fas33f3f(homo, origin, post); homo[3] += post[0]; homo[7] += post[1]; homo[11] += post[2]; dst = homo + 12; invert3f3f(origin, dst); copy44f(homo, I->TTT); } /*========================================================================*/ pymol::copyable_ptr* pymol::CObject::getSettingHandle(int state) { return &Setting; } /*========================================================================*/ std::string pymol::CObject::describeElement(int index) const { return {}; } /*========================================================================*/ void ObjectToggleRepVis(pymol::CObject * I, int rep) { if((rep >= 0) && (rep < cRepCnt)) I->visRep ^= (1 << rep); } /*========================================================================*/ void ObjectSetRepVisMask(pymol::CObject * I, int repmask, int value) { switch (value) { case cVis_HIDE: I->visRep &= ~repmask; break; case cVis_SHOW: I->visRep |= repmask; break; case cVis_AS: I->visRep = repmask; break; case cVis_TOGGLE: I->visRep ^= repmask; break; default: printf("error: invalid value: %d\n", value); } } /*========================================================================*/ void ObjectSetName(pymol::CObject * I, const char *name) { UtilNCopy(I->Name, name, WordLength); if(SettingGetGlobal_b(I->G, cSetting_validate_object_names)) ObjectMakeValidName(I->G, I->Name); } void pymol::CObject::setName(pymol::zstring_view name) { ObjectSetName(this, name.data()); } /*========================================================================*/ pymol::CObject::~CObject() { SceneObjectDel(this->G, this, false); } /*========================================================================*/ void ObjectUseColor(pymol::CObject * I) { PyMOLGlobals *G = I->G; if(G->HaveGUI && G->ValidContext) { glColor3fv(ColorGet(I->G, I->Color)); } } void ObjectUseColorCGO(CGO *cgo, pymol::CObject * I) { PyMOLGlobals *G = I->G; if(G->HaveGUI && G->ValidContext) { CGOColorv(cgo, ColorGet(I->G, I->Color)); } } /*========================================================================*/ /** * Render a unit box (dummy representation) */ void pymol::CObject::render(RenderInfo * info) { if(G->HaveGUI && G->ValidContext) { #ifdef PURE_OPENGL_ES_2 /* TODO */ #else glBegin(GL_LINE_LOOP); glVertex3i(-1, -1, -1); glVertex3i(-1, -1, 1); glVertex3i(-1, 1, 1); glVertex3i(-1, 1, -1); glVertex3i(1, 1, -1); glVertex3i(1, 1, 1); glVertex3i(1, -1, 1); glVertex3i(1, -1, -1); glEnd(); glBegin(GL_LINES); glVertex3i(0, 0, 0); glVertex3i(1, 0, 0); glVertex3i(0, 0, 0); glVertex3i(0, 3, 0); glVertex3i(0, 0, 0); glVertex3i(0, 0, 9); glEnd(); #endif } } /*========================================================================*/ pymol::CObject::CObject(PyMOLGlobals * G) : G(G) { OrthoRemoveSplash(G); /* HMM... this seems like an inappropriate sideeffect */ visRep = cRepBitmask & ~(cRepCellBit | cRepExtentBit); } /*========================================================================*/ void ObjectStateInit(PyMOLGlobals * G, CObjectState * I) { I->G = G; } void ObjectStatePurge(CObjectState * I) { } int ObjectStateSetMatrix(CObjectState * I, const double *matrix) { int ok = true; if(matrix) { I->Matrix.resize(16); copy44d(matrix, I->Matrix.data()); } else { I->Matrix.clear(); } I->InvMatrix.clear(); return ok; } void ObjectStateRightCombineMatrixR44d(CObjectState * I, const double *matrix) { if(matrix) { if(I->Matrix.empty()) { I->Matrix = std::vector(16); copy44d(matrix, I->Matrix.data()); } else { right_multiply44d44d(I->Matrix.data(), matrix); } } I->InvMatrix.clear(); } void ObjectStateLeftCombineMatrixR44d(CObjectState * I, const double *matrix) { if(matrix) { if(I->Matrix.empty()) { I->Matrix = std::vector(16); copy44d(matrix, I->Matrix.data()); } else { left_multiply44d44d(matrix, I->Matrix.data()); } } I->InvMatrix.clear(); } void ObjectStateCombineMatrixTTT(CObjectState * I, const float *matrix) { if(matrix) { if(I->Matrix.empty()) { I->Matrix = std::vector(16); convertTTTfR44d(matrix, I->Matrix.data()); } else { double tmp[16]; convertTTTfR44d(matrix, tmp); right_multiply44d44d(I->Matrix.data(), tmp); } } I->InvMatrix.clear(); } double *ObjectStateGetMatrix(CObjectState * I) { if(!I->Matrix.empty()) { return I->Matrix.data(); } return nullptr; } const double* ObjectStateGetMatrix(const CObjectState* I) { return I->Matrix.empty() ? nullptr : I->Matrix.data(); } /** * Get the Matrix inverse */ const double *ObjectStateGetInvMatrix(const CObjectState * self) { if (self->Matrix.empty()) { return nullptr; } if (self->InvMatrix.empty()) { auto I = const_cast(self); I->InvMatrix = std::vector(16); xx_matrix_invert(I->InvMatrix.data(), I->Matrix.data(), 4); } return self->InvMatrix.data(); } void ObjectStateTransformMatrix(CObjectState * I, const double *matrix) { if(I->Matrix.empty()) { I->Matrix = std::vector(16); if(!I->Matrix.empty()) { copy44d(matrix, I->Matrix.data()); } } else { right_multiply44d44d(I->Matrix.data(), matrix); } I->InvMatrix.clear(); } int ObjectStatePushAndApplyMatrix(CObjectState * I, RenderInfo * info) { PyMOLGlobals *G = I->G; float matrix[16]; const double *i_matrix = nullptr; if(!I->Matrix.empty()) { i_matrix = I->Matrix.data(); } int result = false; if(i_matrix) { if(info->ray) { float ttt[16], matrix[16], i_matrixf[16]; RayPushTTT(info->ray); RayGetTTT(info->ray, ttt); convertTTTfR44f(ttt, matrix); copy44d44f(i_matrix, i_matrixf); right_multiply44f44f(matrix, i_matrixf); RaySetTTT(info->ray, true, matrix); result = true; } else if(G->HaveGUI && G->ValidContext) { matrix[0] = i_matrix[0]; matrix[1] = i_matrix[4]; matrix[2] = i_matrix[8]; matrix[3] = i_matrix[12]; matrix[4] = i_matrix[1]; matrix[5] = i_matrix[5]; matrix[6] = i_matrix[9]; matrix[7] = i_matrix[13]; matrix[8] = i_matrix[2]; matrix[9] = i_matrix[6]; matrix[10] = i_matrix[10]; matrix[11] = i_matrix[14]; matrix[12] = i_matrix[3]; matrix[13] = i_matrix[7]; matrix[14] = i_matrix[11]; matrix[15] = i_matrix[15]; ScenePushModelViewMatrix(G); auto mvm = SceneGetModelViewMatrixPtr(G); MatrixMultiplyC44f(matrix, mvm); #ifndef PURE_OPENGL_ES_2 if (ALWAYS_IMMEDIATE_OR(!info->use_shaders)) { glLoadMatrixf(mvm); } #endif result = true; } } return result; } void ObjectStatePopMatrix(CObjectState * I, RenderInfo * info) { PyMOLGlobals *G = I->G; if(info->ray) { RayPopTTT(info->ray); } else if(G->HaveGUI && G->ValidContext) { ScenePopModelViewMatrix(G, !info->use_shaders); } } void ObjectStateResetMatrix(CObjectState* I) { I->Matrix.clear(); I->InvMatrix.clear(); } PyObject *ObjectStateAsPyList(CObjectState * I) { PyObject *result = nullptr; if(I) { result = PyList_New(1); if(!I->Matrix.empty()) { PyList_SetItem(result, 0, PConvDoubleArrayToPyList(I->Matrix.data(), 16)); } else { PyList_SetItem(result, 0, PConvAutoNone(Py_None)); } } return (PConvAutoNone(result)); } int ObjectStateFromPyList(PyMOLGlobals * G, PyObject * list, CObjectState * I) { PyObject *tmp; int ok = true; ObjectStateInit(G, I); if(list && (list != Py_None)) { /* allow None */ if(ok) ok = (list != nullptr); if(ok) ok = PyList_Check(list); /* TO SUPPORT BACKWARDS COMPATIBILITY... Always check ll when adding new PyList_GetItem's */ if(ok) { tmp = PyList_GetItem(list, 0); if(tmp != Py_None) ok = PConvFromPyObject(G, tmp, I->Matrix); } } return (ok); }