/* 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* ------------------------------------------------------------------- */ #ifndef _H_Executive #define _H_Executive #include"os_python.h" #include"PyMOLObject.h" #include"ObjectMolecule.h" #include"ObjectMap.h" #include"Ortho.h" #include"Word.h" int ExecutiveFixChemistry(char *s1,char *s2,int invalidate, int quiet); int ExecutiveGetAtomVertex(char *s1,int state,int index,float *v); void ExecutiveProcessPDBFile(CObject *origObj,char *fname, char *oname, int frame, int discrete,int finish,OrthoLineType buf, PDBInfoRec *pdb_info,int quiet); int ExecutiveDebug(char *name); float ExecutiveAlign(char *s1,char *s2,char *mat_file,float gap,float extend,int skip, float cutoff,int cycles,int quiet,char *oname,int state1,int state2); float ExecutiveDistance(char *sele1,char *sele2); float ExecutiveDist(char *nam,char *s1,char *s2,int mode,float cutoff,int labels,int quiet); void ExecutiveBond(char *s1,char *s2,int order,int add); int ExecutiveIterate(char *s1,char *expr,int read_only,int quiet); int ExecutiveIterateList(char *s1,PyObject *list,int read_only,int quiet); int ExecutiveSelectList(char *sele_name,char *s1,PyObject *list,int quiet); void ExecutiveLabel(char *s1,char *expr,int quiet); void ExecutiveIterateState(int i1,char *s1,char *expr,int read_only, int atomic_props,int quiet); int ExecutiveColor(char *name,char *color,int flags,int quiet); void ExecutiveInit(void); void ExecutiveFree(void); int ExecutivePop(char *target,char *source,int quiet); void ExecutiveManageObject(struct CObject *obj,int allow_zoom,int quiet); void ExecutiveUpdateObjectSelection(struct CObject *obj); void ExecutiveManageSelection(char *name); Block *ExecutiveGetBlock(void); CObject *ExecutiveFindObjectByName(char *name); ObjectMolecule *ExecutiveFindObjectMoleculeByName(char *name); int ExecutiveIterateObject(CObject **obj,void **hidden); void ExecutiveDelete(char *name); void ExecutiveDump(char *fname,char *obj); void ExecutiveSetControlsOff(char *name); void ExecutiveSort(char *name); int ExecutiveSetSetting(int index,PyObject *tuple,char *sele,int state, int quiet,int updates); void ExecutiveRay(int width,int height,int mode,float angle,float shift,int quiet); int ExecutiveGetDistance(char *s0,char *s1,float *value,int state); int ExecutiveGetAngle(char *s0,char *s1,char *s2,float *value,int state); int ExecutiveGetDihe(char *s0,char *s1,char *s2,char *s3,float *value,int state); int ExecutiveSetDihe(char *s0,char *s1,char *s2,char *s3,float value,int state,int quiet); float ExecutiveRMS(char *sele1,char *sele2,int mode,float refine,int max_cyc, int quiet,char *oname,int state1,int state2, int ordered_selections); void ExecutiveUpdateCmd(char *sele1,char *sele2,int sta1,int sta2); float ExecutiveRMSPairs(WordType *sele,int pairs,int mode); float *ExecutiveRMSStates(char *s1,int target,int mode,int quiet); int *ExecutiveIdentify(char *s1,int mode); int ExecutiveIndex(char *s1,int mode,int **indexVLA,ObjectMolecule ***objVLA); int ExecutiveReset(int cmd,char *name); void ExecutiveDrawNow(void); int ExecutiveCartoon(int type,char *sele); void ExecutiveSetAllVisib(int state); void ExecutiveSetRepVisib(char *name,int rep,int state); int ExecutiveToggleRepVisib(char *name,int rep); void ExecutiveSetAllRepVisib(char *name,int rep,int state); void ExecutiveSetObjVisib(char *name,int state); int ExecutiveOrigin(char *name,int preserve,char *oname,float *pos,int state); int ExecutiveCenter(char *name,int state,int inclusive); int ExecutiveWindowZoom(char *name,float buffer,int state,int inclusive); int ExecutiveGetMoment(char *name,Matrix33d mi,int state); char *ExecutiveGetChains(char *sele,int state,int *null_chain); void ExecutiveOrient(char *sele,Matrix33d mi,int state); char *ExecutiveSeleToPDBStr(char *s1,int state,int conectFlag,int mode); int ExecutiveStereo(int flag); void ExecutiveCopy(char *src,char *dst); float ExecutiveOverlap(char *s1,int state1,char *s2,int state2,float adjust); int ExecutiveCountStates(char *s1); void ExecutiveSymExp(char *name,char *obj,char *sele,float cutoff); int ExecutiveGetExtent(char *name,float *mn,float *mx,int transformed,int state,int weighted); int ExecutiveGetCameraExtent(char *name,float *mn,float *mx,int transformed,int state); void ExecutiveSeleToObject(char *name,char *s1,int source,int target,int discrete); PyObject *ExecutiveSeleToChemPyModel(char *s1,int state); void ExecutiveInvalidateRep(char *name,int rep,int level); void ExecutiveFlag(int flag,char *s1,int action,int quiet); void ExecutiveRemoveAtoms(char *s1,int quiet); void ExecutiveProtect(char *s1,int mode,int quiet); void ExecutiveMask(char *s1,int mode); void ExecutiveUndo(int dir); void ExecutiveRebuildAll(void); void ExecutiveSpheroid(char *name,int average); void ExecutiveAddHydrogens(char *s1,int quiet); void ExecutiveFuse(char *s0,char *s1,int mode); void ExecutiveRenameObjectAtoms(char *name,int force); int ExecutiveInvert(int quiet); char *ExecutiveGetNames(int mode,int enabled_only); int ExecutiveGetType(char *name,WordType type); float ExecutiveGetArea(char *s0,int sta0,int load_b); void ExecutiveRenderSelections(int curState); void ExecutiveHideSelections(void); int ExecutiveSetTitle(char *name,int state,char *text); char *ExecutiveGetTitle(char *name,int state); int ExecutiveSaveUndo(char *s1,int state); void ExecutiveSetLastObjectEdited(CObject *o); CObject *ExecutiveGetLastObjectEdited(void); void ExecutiveFullScreen(int flag); void ExecutiveFocus(void); PyObject *ExecutiveGetSettingTuple(int index,char *object,int state); PyObject *ExecutiveGetSettingText(int index,char *object,int state); int ExecutivePairIndices(char *s1,char *s2,int state1,int state2, int mode,float cutoff,float h_angle, int **indexVLA, ObjectMolecule ***objVLA); void ExecutiveRebuildAllObjectDist(void); int ExecutivePhiPsi(char *s1,ObjectMolecule ***objVLA,int **iVLA, float **phiVLA,float **psiVLA,int state) ; float *ExecutiveGetVertexVLA(char *s1,int state); int ExecutiveValidName(char *name); int ExecutiveIsolevel(char *name,float level,int state); int ExecutiveTransformObjectSelection(char *name,int state,char *s1,int log,float *ttt); int ExecutiveTransformSelection(int state,char *s1,int log,float *ttt); int ExecutiveTranslateAtom(char *sele,float *v,int state,int mode,int log); void ExecutiveSelectRect(BlockRect *rect,int mode); int ExecutiveMapSetBorder(char *name,float level); int ExecutiveMapDouble(char *name,int state); int ExecutiveMultiSave(char *fname,char *name,int state,int append); int ExecutiveIdentifyObjects(char *s1,int mode,int **indexVLA,ObjectMolecule ***objVLA); int ExecutiveCombineObjectTTT(char *name,float *ttt); int ExecutiveSetGeometry(char *s1,int geom,int valence); int ExecutiveSculptIterateAll(void); int ExecutiveSmooth(char *name,int cycles,int window,int first, int last, int ends,int quiet); int ExecutiveSculptDeactivate(char *name); int ExecutiveSculptActivate(char *name,int state); float ExecutiveSculptIterate(char *name,int state,int n_cycle); int ExecutiveMapNew(char *name,int type,float *grid,char *sele, float buffer,float *minCorner,float *maxCorner, int state); int ***ExecutiveGetBondPrint(char *name,int max_bond,int max_type,int *dim); int ExecutiveSetCrystal(char *sele,float a,float b,float c, float alpha,float beta,float gamma,char *sgroup); int ExecutiveGetSession(PyObject *dict); int ExecutiveSetSession(PyObject *session); ObjectMap *ExecutiveFindObjectMapByName(char *name); int ExecutiveUnsetSetting(int index,char *sele, int state,int quiet,int updates); int ExecutiveAssignSS(char *target,int state,char *context,int preserve,int quiet); int ExecutiveRampMapNew(char *name,char *map_name,PyObject *range, PyObject *color,int map_state,char *sele, float beyond,float within,float sigma,int zero); int ExecutiveValidateObjectPtr(CObject *ptr,int object_type); int ExecutiveSpectrum(char *s1,char *expr,float min,float max,int first,int last, char *prefix,int digits,int byres,int quiet,float *min_ret,float *max_ret); int ExecutiveReinitialize(void); char *ExecutiveFindBestNameMatch(char *name); int ExecutiveSetVisFromPyDict(PyObject *dict); PyObject *ExecutiveGetVisAsPyDict(void); int ExecutiveGetCrystal(char *sele,float *a,float *b,float *c, float *alpha,float *beta,float *gamma,char *sgroup,int *defined); int ExecutiveIterateObjectMolecule(ObjectMolecule **obj,void **hidden); int ExecutiveGetObjectColorIndex(char *name); void ExecutiveToggleAllRepVisib(char *name,int rep); int ExecutiveSetOnOffBySele(char *name,int onoff); int ExecutiveSetName(char *old_name, char *new_name); int ExecutiveGetActiveSeleName(char *name, int create_new); int ExecutiveGetActiveSele(void); #endif