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https://github.com/schrodinger/pymol-open-source.git
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95 lines
3.0 KiB
C++
95 lines
3.0 KiB
C++
/*
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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 (C) by Schrodinger.
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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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-*
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-*
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Z* -------------------------------------------------------------------
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*/
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#ifndef _H_ObjectVolume
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#define _H_ObjectVolume
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#include "CGO.h"
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#include "ObjectMap.h"
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#include "Result.h"
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#include "Symmetry.h"
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#include "Util2.h"
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#include "Word.h"
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struct ObjectVolumeState : public CObjectState {
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ObjectNameType MapName;
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int MapState;
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CCrystal Crystal;
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int Active = false;
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int Range[6];
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float ExtentMin[3], ExtentMax[3];
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int ExtentFlag = false;
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// TODO difference between Resurface, Recolor, Refresh???
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int RefreshFlag;
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int ResurfaceFlag = true;
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int RecolorFlag = true;
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pymol::vla<float> AtomVertex;
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float CarveBuffer = 0.0f;
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WordType caption{};
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float Corner[24];
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/* not stored */
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pymol::cache_array<std::size_t, 3>
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textures{}; // 3D volume (map), 1D/2D color table, 3D carvemask
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pymol::copyable_ptr<CField> carvemask;
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unsigned int dim[3]{};
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pymol::copyable_ptr<Isofield> Field;
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float min_max_mean_stdev[4];
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float ramp_min, ramp_range;
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int RampSize() const { return Ramp.size() / 5; };
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std::vector<float> Ramp;
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int isUpdated = false;
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ObjectVolumeState(PyMOLGlobals* G);
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~ObjectVolumeState();
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};
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struct ObjectVolume : public pymol::CObject {
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std::vector<ObjectVolumeState> State;
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ObjectVolume(PyMOLGlobals* G);
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// virtual methods
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void update() override;
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void render(RenderInfo* info) override;
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void invalidate(cRep_t rep, cRepInv_t level, int state) override;
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int getNFrame() const override;
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pymol::CObject* clone() const override;
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protected:
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CObjectState* _getObjectState(int state) override;
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};
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ObjectVolume* ObjectVolumeFromBox(PyMOLGlobals* G, ObjectVolume* obj,
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ObjectMap* map, int map_state, int state, float* mn, float* mx, float level,
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int meshMode, float carve, float* vert_vla, int quiet);
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ObjectVolume* ObjectVolumeFromXtalSym(PyMOLGlobals* G, ObjectVolume* obj,
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ObjectMap* map, CSymmetry* sym, int map_state, int state, float* mn,
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float* mx, float level, int meshMode, float carve, float* vert_vla,
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int quiet);
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PyObject* ObjectVolumeAsPyList(ObjectVolume* I);
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int ObjectVolumeNewFromPyList(
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PyMOLGlobals* G, PyObject* list, ObjectVolume** result);
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int ObjectVolumeInvalidateMapName(
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ObjectVolume* I, const char* name, const char* new_name);
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CField* ObjectVolumeGetField(ObjectVolume* I);
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PyObject* ObjectVolumeGetRamp(ObjectVolume* I, int state);
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pymol::Result<> ObjectVolumeSetRamp(
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ObjectVolume* I, std::vector<float>&& ramp_list, int state);
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ObjectMapState* ObjectVolumeGetMapState(ObjectVolume* I);
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#endif
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