src/io/OptionSectionParser.cpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *                                                                      
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
 * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
 *  Created by Charles F. Vardeman II on 11/15/05.
 *  @author  Charles F. Vardeman II 
 *  @version $Id$
 *
 */

#include "io/OptionSectionParser.hpp"
#include "types/AtomType.hpp"
#include "brains/ForceField.hpp"
#include "utils/simError.h"
#include "utils/StringUtils.hpp"
namespace OpenMD {

  OptionSectionParser::OptionSectionParser(ForceFieldOptions& options) : options_(options) {
    setSectionName("Options");        
  }
  
  void OptionSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){
    
    StringTokenizer tokenizer(line);
    
    if (tokenizer.countTokens() >= 2) {
      std::string optionName = tokenizer.nextToken();
      std::string optionValue = tokenizer.nextToken();
      
      options_.setData(optionName, optionValue);
      
    } else {
      sprintf(painCave.errMsg, "OptionSectionParser Error: Not enough tokens at line %d\n",
              lineNo);
      painCave.isFatal = 1;
      simError();    
    }
    
  }

  void OptionSectionParser::validateSection() {
    options_.validateOptions();
  }

} //end namespace OpenMD  
Revision:	1782
Committed:	Wed Aug 22 02:28:28 2012 UTC (13 years, 2 months ago) by gezelter
File size:	3260 byte(s)
Log Message:	MERGE OpenMD development branch 1465:1781 into trunk
#	User	Rev	Content
1	chuckv	748	/*
2			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3			*
4			* The University of Notre Dame grants you ("Licensee") a
5			* non-exclusive, royalty free, license to use, modify and
6			* redistribute this software in source and binary code form, provided
7			* that the following conditions are met:
8			*
9	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
10	chuckv	748	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	chuckv	748	* notice, this list of conditions and the following disclaimer in the
14			* documentation and/or other materials provided with the
15			* distribution.
16			*
17			* This software is provided "AS IS," without a warranty of any
18			* kind. All express or implied conditions, representations and
19			* warranties, including any implied warranty of merchantability,
20			* fitness for a particular purpose or non-infringement, are hereby
21			* excluded. The University of Notre Dame and its licensors shall not
22			* be liable for any damages suffered by licensee as a result of
23			* using, modifying or distributing the software or its
24			* derivatives. In no event will the University of Notre Dame or its
25			* licensors be liable for any lost revenue, profit or data, or for
26			* direct, indirect, special, consequential, incidental or punitive
27			* damages, however caused and regardless of the theory of liability,
28			* arising out of the use of or inability to use software, even if the
29			* University of Notre Dame has been advised of the possibility of
30			* such damages.
31			*
32	gezelter	1390	* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33			* research, please cite the appropriate papers when you publish your
34			* work. Good starting points are:
35			*
36			* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37			* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38			* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	gezelter	1782	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
41	chuckv	748	* Created by Charles F. Vardeman II on 11/15/05.
42			* @author Charles F. Vardeman II
43	gezelter	1442	* @version $Id$
44	chuckv	748	*
45			*/
46
47			#include "io/OptionSectionParser.hpp"
48			#include "types/AtomType.hpp"
49	gezelter	1782	#include "brains/ForceField.hpp"
50	chuckv	748	#include "utils/simError.h"
51	tim	749	#include "utils/StringUtils.hpp"
52	gezelter	1390	namespace OpenMD {
53	tim	749
54			OptionSectionParser::OptionSectionParser(ForceFieldOptions& options) : options_(options) {
55			setSectionName("Options");
56			}
57	chuckv	748
58			void OptionSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){
59
60			StringTokenizer tokenizer(line);
61
62			if (tokenizer.countTokens() >= 2) {
63	tim	749	std::string optionName = tokenizer.nextToken();
64			std::string optionValue = tokenizer.nextToken();
65	chuckv	748
66	tim	749	options_.setData(optionName, optionValue);
67	chuckv	748
68			} else {
69			sprintf(painCave.errMsg, "OptionSectionParser Error: Not enough tokens at line %d\n",
70			lineNo);
71			painCave.isFatal = 1;
72			simError();
73			}
74
75			}
76
77	tim	749	void OptionSectionParser::validateSection() {
78			options_.validateOptions();
79			}
80
81	gezelter	1390	} //end namespace OpenMD