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root/group/branches/new_design/OOPSE-3.0/src/io/AtomTypesSectionParser.cpp
Revision: 1784
Committed: Wed Nov 24 22:12:12 2004 UTC (19 years, 9 months ago) by tim
File size: 2203 byte(s)
Log Message:
more get built

File Contents

# User Rev Content
1 tim 1765 /*
2     * Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project
3     *
4     * Contact: oopse@oopse.org
5     *
6     * This program is free software; you can redistribute it and/or
7     * modify it under the terms of the GNU Lesser General Public License
8     * as published by the Free Software Foundation; either version 2.1
9     * of the License, or (at your option) any later version.
10     * All we ask is that proper credit is given for our work, which includes
11     * - but is not limited to - adding the above copyright notice to the beginning
12     * of your source code files, and to any copyright notice that you may distribute
13     * with programs based on this work.
14     *
15     * This program is distributed in the hope that it will be useful,
16     * but WITHOUT ANY WARRANTY; without even the implied warranty of
17     * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18     * GNU Lesser General Public License for more details.
19     *
20     * You should have received a copy of the GNU Lesser General Public License
21     * along with this program; if not, write to the Free Software
22     * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
23     *
24     */
25    
26     #include "io/AtomTypesSectionParser.hpp"
27 tim 1784 #include "types/AtomType.hpp"
28 tim 1765 namespace oopse {
29    
30     AtomTypesSectionParser::AtomTypesSectionParser() {
31     setSectionName("AtomTypes");
32     }
33    
34     void AtomTypesSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){
35     StringTokenizer tokenizer(line);
36     int nTokens = tokenizer.countTokens();
37    
38     //in AtomTypeSection, a line at least contains 2 tokens
39     //atomTypeName and mass
40     if (nTokens < 2) {
41    
42     } else {
43    
44     std::string atomTypeName = tokenizer.nextToken();
45     AtomType* atomType = ff ->getAtomType(atomTypeName);
46    
47     if (atomType == NULL) {
48     atomType = new AtomType();
49     int ident = ff.getNAtomType() + 1;
50     atomType->setIdent(ident);
51     atomType->setName(atomTypeName);
52     ff.addAtomType(atomTypeName, atomType)
53     }
54    
55     double mass = tokenizer.nextTokenAsDouble();
56     atomType->setMass(mass);
57    
58     }
59    
60    
61     }
62    
63     } //end namespace oopse