"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer2/ObjectMolecule.h" between
pymol-v2.1.0.tar.bz2 and pymol-open-source-2.2.0.tar.gz

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

ObjectMolecule.h  (pymol-v2.1.0.tar.bz2)	:	ObjectMolecule.h  (pymol-open-source-2.2.0)
skipping to change at line 397		skipping to change at line 397
struct CoordSet *ObjectMoleculeGetCoordSet(ObjectMolecule * I, int setIndex);		struct CoordSet *ObjectMoleculeGetCoordSet(ObjectMolecule * I, int setIndex);
void ObjectMoleculeBlindSymMovie(ObjectMolecule * I);		void ObjectMoleculeBlindSymMovie(ObjectMolecule * I);
int ObjectMoleculeMerge(ObjectMolecule * I, AtomInfoType * ai,		int ObjectMoleculeMerge(ObjectMolecule * I, AtomInfoType * ai,
struct CoordSet *cs, int bondSearchFlag,		struct CoordSet *cs, int bondSearchFlag,
int aic_mask, int invalidate);		int aic_mask, int invalidate);
void ObjectMoleculeUpdateNonbonded(ObjectMolecule * I);		void ObjectMoleculeUpdateNonbonded(ObjectMolecule * I);
int ObjectMoleculeUpdateNeighbors(ObjectMolecule * I);		int ObjectMoleculeUpdateNeighbors(ObjectMolecule * I);
int ObjectMoleculeMoveAtom(ObjectMolecule * I, int state, int index, float *v, i nt mode,		int ObjectMoleculeMoveAtom(ObjectMolecule * I, int state, int index, float *v, i nt mode,
int log);		int log);
int ObjectMoleculeMoveAtomLabel(ObjectMolecule * I, int state, int index, float		int ObjectMoleculeMoveAtomLabel(ObjectMolecule * I, int state, int index, float
*v,		*v, int log, float *diff);
int mode, int log);
int ObjectMoleculeGetAtomVertex(ObjectMolecule * I, int state, int index, float *v);		int ObjectMoleculeGetAtomVertex(ObjectMolecule * I, int state, int index, float *v);
int ObjectMoleculeGetAtomTxfVertex(ObjectMolecule * I, int state, int index, flo at *v);		int ObjectMoleculeGetAtomTxfVertex(ObjectMolecule * I, int state, int index, flo at *v);
int ObjectMoleculeGetAtomIndex(ObjectMolecule * I, int sele);		int ObjectMoleculeGetAtomIndex(ObjectMolecule * I, int sele);
int ObjectMoleculeTransformSelection(ObjectMolecule * I, int state,		int ObjectMoleculeTransformSelection(ObjectMolecule * I, int state,
int sele, float *TTT, int log,		int sele, float *TTT, int log,
const char *sname, int homogenous, int glob al);		const char *sname, int homogenous, int glob al);
int ObjectMoleculeDoesAtomNeighborSele(ObjectMolecule * I, int index, int sele);		int ObjectMoleculeDoesAtomNeighborSele(ObjectMolecule * I, int index, int sele);
void ObjectMoleculeInferChemFromNeighGeom(ObjectMolecule * I, int state);		void ObjectMoleculeInferChemFromNeighGeom(ObjectMolecule * I, int state);
void ObjectMoleculeInferChemForProtein(ObjectMolecule * I, int state);		void ObjectMoleculeInferChemForProtein(ObjectMolecule * I, int state);
void ObjectMoleculeInferChemFromBonds(ObjectMolecule * I, int state);		void ObjectMoleculeInferChemFromBonds(ObjectMolecule * I, int state);
skipping to change at line 510		skipping to change at line 509
M4XAnnoType * m4x,		M4XAnnoType * m4x,
char *pdb_name,		char *pdb_name,
const char **next_pdb,		const char **next_pdb,
PDBInfoRec * pdb_info,		PDBInfoRec * pdb_info,
int quiet, int *model_number);		int quiet, int *model_number);
#ifndef NO_MMLIBS		#ifndef NO_MMLIBS
int ObjectMoleculeUpdateAtomTypeInfoForState(PyMOLGlobals * G, ObjectMolecule * obj, int state, int initialize, int format);		int ObjectMoleculeUpdateAtomTypeInfoForState(PyMOLGlobals * G, ObjectMolecule * obj, int state, int initialize, int format);
#endif		#endif
		#ifdef _PYMOL_IP_EXTRAS
		int ObjectMoleculeUpdateMMStereoInfoForState(PyMOLGlobals * G, ObjectMolecule *
		obj, int state, int initialize=1);
		#endif
#ifndef _PYMOL_NO_UNDO		#ifndef _PYMOL_NO_UNDO
void ObjectMoleculeSetAtomBondInfoTypeOldId(PyMOLGlobals * G, ObjectMolecule * o bj);		void ObjectMoleculeSetAtomBondInfoTypeOldId(PyMOLGlobals * G, ObjectMolecule * o bj);
void ObjectMoleculeSetAtomBondInfoTypeOldIdToNegOne(PyMOLGlobals * G, ObjectMole cule * obj);		void ObjectMoleculeSetAtomBondInfoTypeOldIdToNegOne(PyMOLGlobals * G, ObjectMole cule * obj);
#endif		#endif
void ObjectMoleculeAdjustDiscreteAtmIdx(ObjectMolecule *I, int *lookup, int nAto m);		void ObjectMoleculeAdjustDiscreteAtmIdx(ObjectMolecule *I, int *lookup, int nAto m);
void AtomInfoSettingGenerateSideEffects(PyMOLGlobals * G, ObjectMolecule *obj, i nt index, int id);		void AtomInfoSettingGenerateSideEffects(PyMOLGlobals * G, ObjectMolecule *obj, i nt index, int id);
int *AtomInfoGetSortedIndex(PyMOLGlobals * G, ObjectMolecule * obj, AtomInfoType * rec, int n,		int *AtomInfoGetSortedIndex(PyMOLGlobals * G, ObjectMolecule * obj, AtomInfoType * rec, int n,
End of changes. 2 change blocks.
3 lines changed or deleted		7 lines changed or added

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