/* 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_Sculpt #define _H_Sculpt #include"Shaker.h" #include"ObjectMolecule.h" #define cSculptBond 0x01 #define cSculptAngl 0x02 #define cSculptPyra 0x04 #define cSculptPlan 0x08 #define cSculptLine 0x10 #define cSculptVDW 0x20 #define cSculptVDW14 0x40 #define cSculptTors 0x80 typedef struct CSculpt { CShaker *Shaker; ObjectMolecule *Obj; int *NBHash; int *NBList; int *EXHash; int *EXList; int *Don; int *Acc; float inverse[256]; } CSculpt; CSculpt *SculptNew(void); void SculptMeasureObject(CSculpt *I,ObjectMolecule *obj,int state); float SculptIterateObject(CSculpt *I,ObjectMolecule *obj,int state,int n_cycle); void SculptFree(CSculpt *I); #endif