--- trunk/FAS/src/fasatom.h 2002/08/13 16:02:26 66 +++ trunk/FAS/src/fasatom.h 2002/08/14 23:27:28 77 @@ -1,3 +1,22 @@ +/********************************************************************** +* Copyright (C) 2002-2003 by Gezelter's Group +*This program is free software; you can redistribute it and/or modify +*it under the terms of the GNU General Public License as published by +*the Free Software Foundation version 2 of the License. +* +*This program is distributed in the hope that it will be useful, +*but WITHOUT ANY WARRANTY; without even the implied warranty of +*MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +*GNU General Public License for more details. +* +************************************************************************ +*Author: Teng Lin Email: tlin@nd.edu +*Date: 08/13/2002 Version: 1.0 +* +************************************************************************ +*Description: +* +***********************************************************************/ #ifndef FASATOM_H #define FASATOM_H #include @@ -12,14 +31,14 @@ class TFASMolecule; //ATOM Property Macros #define FAS_NORMAL_ATOM (1<<1) -#define FAS_PROTEINBACK_ATOM (1<<2) +#define FAS_PROTEINBACK_ATOM (1<<2) #define FAS_NUCLEIC_ATOM (1<<3) #define FAS_AROMATIC_ATOM (1<<4) -#define FAS_RING_ATOM (1<<5) +#define FAS_RING_ATOM (1<<5) #define FAS_CSTEREO_ATOM (1<<6) #define FAS_ACSTEREO_ATOM (1<<7) #define FAS_DONOR_ATOM (1<<8) -#define FAS_ACCEPTOR_ATOM (1<<8) +#define FAS_ACCEPTOR_ATOM (1<<9) #define FAS_CHIRAL_ATOM (1<<10) namespace TAtomProp @@ -27,15 +46,13 @@ namespace TAtomProp const int apNormal = FAS_NORMAL_ATOM; const int apProtein = FAS_PROTEINBACK_ATOM; const int apNucleic = FAS_NUCLEIC_ATOM; - const int ap4Ring = FAS_4RING_ATOM; - const int ap3Ring = FAS_3RING_ATOM; const int apAromatic = FAS_AROMATIC_ATOM; const int apRing = FAS_RING_ATOM; const int apCStereo = FAS_CSTEREO_ATOM; const int apACStereo = FAS_ACSTEREO_ATOM; const int apDonor = FAS_DONOR_ATOM; const int apAcceptor = FAS_ACCEPTOR_ATOM; - const int apChiral = FAS_CHIRAL_ATOM; + const int apChiral = FAS_CHIRAL_ATOM; }; class TFASAtom