# | Line 1076 | Line 1076 | int WATER_NS::parseDirectional( char *lineBuffer, int | |
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1076 | } | |
1077 | else return 0; | |
1078 | } | |
1079 | + | double WATER::getAtomTypeMass (char* atomType) { |
1080 | + | |
1081 | + | currentAtomType = headAtomType->find( atomType ); |
1082 | + | if( currentAtomType == NULL ){ |
1083 | + | sprintf( painCave.errMsg, |
1084 | + | "AtomType error, %s not found in force file.\n", |
1085 | + | atomType ); |
1086 | + | painCave.isFatal = 1; |
1087 | + | simError(); |
1088 | + | } |
1089 | + | |
1090 | + | return currentAtomType->mass; |
1091 | + | } |
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