[ViewVC] Diff of: group/branches/new_design/OOPSE-3.0/src/UseTheForce/DUFF.cpp

Comparing branches/new_design/OOPSE-3.0/src/UseTheForce/DUFF.cpp (file contents):
Revision 1758 by tim, Fri Nov 19 17:56:32 2004 UTC vs.
Revision 1759 by tim, Fri Nov 19 18:02:33 2004 UTC

#	Line 76 \| Line 76 \| void DUFF::parse(const std::string& filename) {
76		std::string line;
77		char buffer[bufferSize];
78		int lineNo = 0;
79	+	int atomIdent = 1; //atom's indent begins from 1 (since only fortran's array begins from 1)
80		ParseState currentSection = DUFF::UnknownSection;
81
82		while(ffStream.getline(buffer, bufferSize)){
#	Line 89 \| Line 90 \| void DUFF::parse(const std::string& filename) {
90
91		switch(currentSection) {
92		case DUFF::AtomTypeSection :
93	<	parseAtomType(line, lineNo);
93	>	parseAtomType(line, lineNo, atomIdent);
94		break;
95
96	+	case DUFF::DirectionalAtomTypeSection :
97	+	parseDirectionalAtomType(line, lineNo);
98	+	break;
99	+
100		case DUFF::BondTypeSection :
101		parseBondType(line, lineNo);
102		break;
#	Line 149 \| Line 154 \| void DUFF::parseAtomType(const std::string& line, int
154		//in AtomTypeSection, a line at least contains 5 tokens
155		//atomTypeName, is Directional, isLJ, isCharge and mass
156		if (nTokens < 5) {
157	<	sprintf( painCave.errMsg,
153	<	"Not enough tokens when parsing DUFF Force Field : %s\n"
154	<	"in line %d : %s\n",
155	<	filename.c_str(), lineNo, line);
156	<	painCave.severity = OOPSE_ERROR;
157	<	painCave.isFatal = 1;
158	<	simError();
159	<
160	<
157	>
158		} else {
159
160		std::string atomTypeName = tokenizer.nextToken();

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines