1 |
tim |
1769 |
/* |
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 |
|
|
#ifndef IO_EAMATOMTYPESSECTIONPARSER_HPP |
27 |
|
|
#define IO_EAMATOMTYPESSECTIONPARSER_HPP |
28 |
|
|
|
29 |
|
|
#include "io/SectionParser.hpp" |
30 |
tim |
1789 |
#include "types/AtomType.hpp" |
31 |
|
|
|
32 |
tim |
1769 |
namespace oopse { |
33 |
|
|
|
34 |
|
|
/** |
35 |
|
|
* @class EAMAtomTypesSectionParser EAMAtomTypesSectionParser.hpp "io/EAMAtomTypesSectionParser.hpp" |
36 |
|
|
*/ |
37 |
|
|
class EAMAtomTypesSectionParser : public SectionParser { |
38 |
tim |
1784 |
public: |
39 |
|
|
EAMAtomTypesSectionParser(); |
40 |
|
|
|
41 |
tim |
1769 |
private: |
42 |
tim |
1784 |
virtual void parseLine(ForceField& ff, const std::string& line, int lineNo); |
43 |
tim |
1789 |
void parseEAMParamFile(ForceField& ff, AtomType* atomType, const std::string& potentialParamFile, int iden); |
44 |
|
|
void parseEAMArray(std::istream& input, std::vector<double>& array, int num); |
45 |
tim |
1769 |
}; |
46 |
|
|
|
47 |
|
|
|
48 |
|
|
} //namespace oopse |
49 |
|
|
|
50 |
|
|
#endif //IO_EAMATOMTYPESSECTIONPARSER_HPP |
51 |
|
|
|
52 |
|
|
|