"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer3/Executive.h" between
pymol-open-source-2.2.0.tar.gz and pymol-open-source-2.3.0.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.

Executive.h  (pymol-open-source-2.2.0):Executive.h  (pymol-open-source-2.3.0)
skipping to change at line 33 skipping to change at line 33
#include"PyMOLObject.h" #include"PyMOLObject.h"
#include"ObjectMolecule.h" #include"ObjectMolecule.h"
#include"ObjectMap.h" #include"ObjectMap.h"
#include"Ortho.h" #include"Ortho.h"
#include"Word.h" #include"Word.h"
#include "PyMOL.h" #include "PyMOL.h"
#include "Executive_pre.h" #include "Executive_pre.h"
#include "Scene.h" #include "Scene.h"
#define cLoadTypeUnknown -1 enum cLoadType_t : int {
#define cLoadTypePDB 0 cLoadTypeUnknown = -1,
#define cLoadTypeMOL 1 cLoadTypePDB = 0,
#define cLoadTypeSDF1 2 /* SDF1 - python-based loader */ cLoadTypeMOL = 1,
#define cLoadTypeMOLStr 3 cLoadTypeSDF1 = 2, /* SDF1 - python-based loader */
#define cLoadTypeMMD 4 cLoadTypeMOLStr = 3,
#define cLoadTypeMMDSeparate 5 cLoadTypeMMD = 4,
#define cLoadTypeMMDStr 6 cLoadTypeMMDSeparate = 5,
#define cLoadTypeXPLORMap 7 cLoadTypeMMDStr = 6,
#define cLoadTypeChemPyModel 8 cLoadTypeXPLORMap = 7,
#define cLoadTypePDBStr 9 cLoadTypeChemPyModel = 8,
#define cLoadTypeChemPyBrick 10 cLoadTypePDBStr = 9,
#define cLoadTypeChemPyMap 11 cLoadTypeChemPyBrick = 10,
#define cLoadTypeCallback 12 cLoadTypeChemPyMap = 11,
#define cLoadTypeCGO 13 cLoadTypeCallback = 12,
#define cLoadTypeR3D 14 cLoadTypeCGO = 13,
#define cLoadTypeXYZ 15 cLoadTypeR3D = 14,
#define cLoadTypeCCP4Map 18 cLoadTypeXYZ = 15,
#define cLoadTypePMO 19 cLoadTypeCCP4Map = 18,
#define cLoadTypeTOP 21 cLoadTypePMO = 19,
#define cLoadTypeTRJ 22 cLoadTypeTOP = 21,
#define cLoadTypeCRD 23 cLoadTypeTRJ = 22,
#define cLoadTypeRST 24 cLoadTypeCRD = 23,
#define cLoadTypePSE 25 cLoadTypeRST = 24,
#define cLoadTypeXPLORStr 26 cLoadTypePSE = 25,
#define cLoadTypePHIMap 27 cLoadTypeXPLORStr = 26,
#define cLoadTypeFLDMap 28 cLoadTypePHIMap = 27,
#define cLoadTypeBRIXMap 29 cLoadTypeFLDMap = 28,
#define cLoadTypeGRDMap 30 cLoadTypeBRIXMap = 29,
#define cLoadTypePQR 31 cLoadTypeGRDMap = 30,
#define cLoadTypeDXMap 32 cLoadTypePQR = 31,
#define cLoadTypeMOL2 33 cLoadTypeDXMap = 32,
#define cLoadTypeMOL2Str 34 cLoadTypeMOL2 = 33,
#define cLoadTypeP1M 35 cLoadTypeMOL2Str = 34,
#define cLoadTypeCCP4Str 36 cLoadTypeP1M = 35,
#define cLoadTypeSDF2 37 cLoadTypeCCP4Str = 36,
#define cLoadTypeSDF2Str 38 cLoadTypeSDF2 = 37,
#define cLoadTypeXTC 42 cLoadTypeSDF2Str = 38,
#define cLoadTypeTRR 43 cLoadTypeXTC = 42,
#define cLoadTypeGRO 44 cLoadTypeTRR = 43,
#define cLoadTypeTRJ2 45 cLoadTypeGRO = 44,
#define cLoadTypeG96 46 cLoadTypeTRJ2 = 45,
#define cLoadTypeDCD 47 cLoadTypeG96 = 46,
#define cLoadTypeCUBEMap 48 cLoadTypeDCD = 47,
#define cLoadTypeXYZStr 49 cLoadTypeCUBEMap = 48,
cLoadTypeXYZStr = 49,
/* 50 is Python-based CIF (cif1) */ /* 50 is Python-based CIF (cif1) */
#define cLoadTypePHIStr 51 cLoadTypePHIStr = 51,
/* 52 is PIM */ /* 52 is PIM */
/* 53 is PWG */ /* 53 is PWG */
/* 54 is ALN */ /* 54 is ALN */
/* 55 is FASTA */ /* 55 is FASTA */
#define cLoadTypeACNTMap 56 cLoadTypeACNTMap = 56,
#define cLoadTypeDTR 57 cLoadTypeDTR = 57,
/* 58/59 are pze, pzw */ /* 58/59 are pze, pzw */
#define cLoadTypeCIF 60 cLoadTypeCIF = 60,
#define cLoadTypeCIFStr 61 cLoadTypeCIFStr = 61,
#define cLoadTypeSpider 62 cLoadTypeSpider = 62,
#define cLoadTypeCMS 63 cLoadTypeCMS = 63,
#define cLoadTypePlugin 64 cLoadTypePlugin = 64,
#define cLoadTypeMAE 65 cLoadTypeMAE = 65,
#define cLoadTypeMAEStr 66 cLoadTypeMAEStr = 66,
#define cLoadTypePDBQT 67 cLoadTypePDBQT = 67,
/* 68 is Python-based MAE */ /* 68 is Python-based MAE */
#define cLoadTypeVDBStr 69 cLoadTypeVDBStr = 69,
#define cLoadTypeMMTF 71 cLoadTypeMMTF = 71,
#define cLoadTypeMMTFStr 72 cLoadTypeMMTFStr = 72,
};
/* NOTE: if you add new content/object type above, then be sure to add /* NOTE: if you add new content/object type above, then be sure to add
corresponding code in: corresponding code in:
ExecutiveGetExistingCompatible ExecutiveGetExistingCompatible
ExecutiveLoad ExecutiveLoad
*/ */
typedef struct { typedef struct {
ObjectMolecule *obj; ObjectMolecule *obj;
int atm; int atm;
skipping to change at line 184 skipping to change at line 186
const char *fname, const char *buffer, const char *o name, const char *fname, const char *buffer, const char *o name,
int frame, int discrete, int finish, OrthoLineType b uf, int frame, int discrete, int finish, OrthoLineType b uf,
int variant, int quiet, int variant, int quiet,
int multiplex, int zoom); int multiplex, int zoom);
const ExecutiveObjectOffset * ExecutiveUniqueIDAtomDictGet(PyMOLGlobals * G, int i); const ExecutiveObjectOffset * ExecutiveUniqueIDAtomDictGet(PyMOLGlobals * G, int i);
void ExecutiveUniqueIDAtomDictInvalidate(PyMOLGlobals * G); void ExecutiveUniqueIDAtomDictInvalidate(PyMOLGlobals * G);
int ExecutiveLoad(PyMOLGlobals * G, int ExecutiveLoad(PyMOLGlobals * G,
const char *content, int content_length, const char *content, int content_length,
int content_format, cLoadType_t content_format,
const char *object_name, const char *object_name,
int state, int zoom, int state, int zoom,
int discrete, int finish, int multiplex, int quiet, const char *plugin, int discrete, int finish, int multiplex, int quiet, const char *plugin,
const char * object_props=NULL, const char * atom_props=NULL, const char * object_props=NULL, const char * atom_props=NULL,
bool mimic=true); bool mimic=true);
int ExecutiveDebug(PyMOLGlobals * G, const char *name); int ExecutiveDebug(PyMOLGlobals * G, const char *name);
typedef struct { typedef struct {
int n_residues_aligned; int n_residues_aligned;
skipping to change at line 306 skipping to change at line 308
int ExecutiveGetDihe(PyMOLGlobals * G, const char *s0, const char *s1, const cha r *s2, const char *s3, int ExecutiveGetDihe(PyMOLGlobals * G, const char *s0, const char *s1, const cha r *s2, const char *s3,
float *value, int state); float *value, int state);
int ExecutiveSetDihe(PyMOLGlobals * G, const char *s0, const char *s1, const cha r *s2, const char *s3, int ExecutiveSetDihe(PyMOLGlobals * G, const char *s0, const char *s1, const cha r *s2, const char *s3,
float value, int state=0, int quiet=1); float value, int state=0, int quiet=1);
int ExecutiveRMS(PyMOLGlobals * G, const char *sele1, const char *sele2, int mod e, float refine, int ExecutiveRMS(PyMOLGlobals * G, const char *sele1, const char *sele2, int mod e, float refine,
int max_cyc, int quiet, const char *oname, int state1, int stat e2, int max_cyc, int quiet, const char *oname, int state1, int stat e2,
int ordered_selections, int matchmaker, ExecutiveRMSInfo * rms_ info); int ordered_selections, int matchmaker, ExecutiveRMSInfo * rms_ info);
void ExecutiveUpdateCmd(PyMOLGlobals * G, const char *sele1, const char *sele2, int sta1, int sta2, void ExecutiveUpdateCmd(PyMOLGlobals * G, const char *sele1, const char *sele2, int sta1, int sta2,
int method, int quiet); int method, int quiet);
float ExecutiveRMSPairs(PyMOLGlobals * G, WordType * sele, int pairs, int mode); float ExecutiveRMSPairs(PyMOLGlobals * G, WordType * sele, int pairs, int mode, bool quiet);
float *ExecutiveRMSStates(PyMOLGlobals * G, const char *s1, int target, int mode , int quiet, float *ExecutiveRMSStates(PyMOLGlobals * G, const char *s1, int target, int mode , int quiet,
int mix); int mix);
int *ExecutiveIdentify(PyMOLGlobals * G, const char *s1, int mode); int *ExecutiveIdentify(PyMOLGlobals * G, const char *s1, int mode);
int ExecutiveIndex(PyMOLGlobals * G, const char *s1, int mode, int **indexVLA, int ExecutiveIndex(PyMOLGlobals * G, const char *s1, int mode, int **indexVLA,
ObjectMolecule *** objVLA); ObjectMolecule *** objVLA);
int ExecutiveReset(PyMOLGlobals * G, int cmd, const char *name); int ExecutiveReset(PyMOLGlobals * G, int cmd, const char *name);
void ExecutiveResetMatrix(PyMOLGlobals * G, void ExecutiveResetMatrix(PyMOLGlobals * G,
const char *name, int mode, int state, int log, int qu iet); const char *name, int mode, int state, int log, int qu iet);
void ExecutiveDrawNow(PyMOLGlobals * G); void ExecutiveDrawNow(PyMOLGlobals * G);
int ExecutiveDrawCmd(PyMOLGlobals * G, int width, int height, int antialias, int ExecutiveDrawCmd(PyMOLGlobals * G, int width, int height, int antialias,
skipping to change at line 499 skipping to change at line 501
int ExecutiveIterateObjectMolecule(PyMOLGlobals * G, ObjectMolecule ** obj, int ExecutiveIterateObjectMolecule(PyMOLGlobals * G, ObjectMolecule ** obj,
void **hidden); void **hidden);
int ExecutiveSetObjectColor(PyMOLGlobals * G, const char *name, const char *colo r, int quiet); int ExecutiveSetObjectColor(PyMOLGlobals * G, const char *name, const char *colo r, int quiet);
int ExecutiveGetObjectColorIndex(PyMOLGlobals * G, const char *name); int ExecutiveGetObjectColorIndex(PyMOLGlobals * G, const char *name);
int ExecutiveSetOnOffBySele(PyMOLGlobals * G, const char *name, int onoff); int ExecutiveSetOnOffBySele(PyMOLGlobals * G, const char *name, int onoff);
int ExecutiveSetName(PyMOLGlobals * G, const char *old_name, const char *new_nam e); int ExecutiveSetName(PyMOLGlobals * G, const char *old_name, const char *new_nam e);
int ExecutiveSetDrag(PyMOLGlobals * G, const char *name, int quiet,int mode); int ExecutiveSetDrag(PyMOLGlobals * G, const char *name, int quiet,int mode);
int ExecutiveGetActiveSeleName(PyMOLGlobals * G, char *name, int create_new, int log); int ExecutiveGetActiveSeleName(PyMOLGlobals * G, char *name, int create_new, int log);
int ExecutiveGetActiveSele(PyMOLGlobals * G); int ExecutiveGetActiveSele(PyMOLGlobals * G);
int ExecutiveGetActiveAlignmentSele(PyMOLGlobals * G); int ExecutiveGetActiveAlignmentSele(PyMOLGlobals * G);
CObject *ExecutiveGetExistingCompatible(PyMOLGlobals * G, const char *oname, int const char* ExecutiveGetActiveAlignment(PyMOLGlobals* G);
type); CObject *ExecutiveGetExistingCompatible(PyMOLGlobals * G, const char *oname, cLo
adType_t type);
int ExecutiveAngle(PyMOLGlobals * G, float *result, int ExecutiveAngle(PyMOLGlobals * G, float *result,
const char *nam, const char *s1, const char *s2, const char * s3, int mode, const char *nam, const char *s1, const char *s2, const char * s3, int mode,
int labels, int reset, int zoom, int quiet, int state, int labels, int reset, int zoom, int quiet, int state,
int state1=-4, int state2=-4, int state3=-4); int state1=-4, int state2=-4, int state3=-4);
int ExecutiveDihedral(PyMOLGlobals * G, float *result, int ExecutiveDihedral(PyMOLGlobals * G, float *result,
const char *nam, const char *s1, const char *s2, const cha r *s3, const char *s4, int mode, const char *nam, const char *s1, const char *s2, const cha r *s3, const char *s4, int mode,
int labels, int reset, int zoom, int quiet, int state); int labels, int reset, int zoom, int quiet, int state);
int ExecutiveMatrixCopy2(PyMOLGlobals * G, int ExecutiveMatrixCopy2(PyMOLGlobals * G,
 End of changes. 11 change blocks. 
64 lines changed or deleted 67 lines changed or added

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