/**************************************************************************/ /**************************************************************************/ /************************** "steric" **********************************/ /**************************************************************************/ /************* Program to calculate ligand cone ********************/ /************* angles as a measure of steric size ********************/ /**************************************************************************/ /**************************************************************************/ /**************************************************************************/ /****************** Memory Management **************************/ /**************************************************************************/ /****************** This module is **************************/ /****************** system independant **************************/ /**************************************************************************/ Parm *New_Parm(Parm *old); Bond *New_Bond(Bond *old); Atms *New_Atom(Atms *old); Symm *New_Symm(Symm *old); Grps *New_Group(Grps *old); Conf *New_Conformer(Conf *old); Ster *New_Steric(Ster *old); Mol *New_Molecule(Mol *old); void New_Profile(Ster *ster, size_t size); /**************************************************************************/ Parm *First_Parm(Parm *current); Parm *Last_Parm(Parm *current); Bond *First_Bond(Bond *current); Bond *Last_Bond(Bond *current); Atms *First_Atom(Atms *current); Atms *Last_Atom(Atms *current); Symm *First_Symm(Symm *current); Symm *Last_Symm(Symm *current); Grps *First_Group(Grps *current); Grps *Last_Group(Grps *current); Conf *First_Conformer(Conf *current); Conf *Last_Conformer(Conf *current); Ster *First_Steric(Ster *current); Ster *Last_Steric(Ster *current); Mol *First_Molecule(Mol *current); Mol *Last_Molecule(Mol *current); /**************************************************************************/ int Get_Parm_Number(Parm *current); int Get_Bond_Number(Bond *current); int Get_Atom_Number(Atms *current); int Get_Symm_Number(Symm *current); int Get_Group_Number(Grps *current); int Get_Conformer_Number(Conf *current); int Get_Steric_Number(Ster *current); int Get_Molecule_Number(Mol *current); /**************************************************************************/ Parm *Goto_Parm(Parm *current, int num); Bond *Goto_Bond(Bond *current, int num); Atms *Goto_Atom(Atms *current, int num); Symm *Goto_Symm(Symm *current, int num); Grps *Goto_Group(Grps *current, int num); Conf *Goto_Conformer(Conf *current, int num); Ster *Goto_Steric(Ster *current, int num); Mol *Goto_Molecule(Mol *current, int num); /**************************************************************************/ Atms *Goto_Atom_Name(Atms *current, char *name); Grps *Goto_Group_Name(Grps *current, char *name); Ster *Goto_Steric_Name(Ster *current, char *name); Mol *Goto_Molecule_Name(Mol *current, char *name); Ster *Goto_Steric_Type(Ster *current, char type); /**************************************************************************/ Parm *Next_Parm(Parm *current); Parm *Previous_Parm(Parm *current); Bond *Next_Bond(Bond *current); Bond *Previous_Bond(Bond *current); Atms *Next_Atom(Atms *current); Atms *Previous_Atom(Atms *current); Symm *Next_Symm(Symm *current); Symm *Previous_Symm(Symm *current); Grps *Next_Group(Grps *current); Grps *Previous_Group(Grps *current); Conf *Next_Conformer(Conf *current); Conf *Previous_Conformer(Conf *current); Ster *Next_Steric(Ster *current); Ster *Previous_Steric(Ster *current); Mol *Next_Molecule(Mol *current); Mol *Previous_Molecule(Mol *current); /**************************************************************************/ Parm *Close_Parm(Parm *current); Bond *Close_Bond(Bond *current); Atms *Close_Atom(Atms *current); Symm *Close_Symm(Symm *current); Grps *Close_Group(Grps *current); Conf *Close_Conformer(Conf *current); Ster *Close_Steric(Ster *current); Mol *Close_Molecule(Mol *current); /**************************************************************************/ Parm *Close_All_Parms(Parm *parm); Bond *Close_All_Bonds(Bond *bond); Atms *Close_Current_Atom(Atms *atom); Atms *Close_All_Atoms(Atms *atom, unsigned mode); Symm *Close_All_Symmetries(Symm *symm); Grps *Close_All_Groups(Grps *atom); Conf *Close_All_Conformers(Conf *conf); Ster *Close_All_Sterics(Ster *ster); void Close_Profile(Ster *ster); int Close_All_Arrays(Mol *M); Mol *Close_Current_Molecule(Mol *M); /**************************************************************************/ /****************** The End ... ******************************************/ /**************************************************************************/