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. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. 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.
 *
 *
 *  OptionSectionParser.cpp
 *  OOPSE-2.0
 *
 *  Created by Charles F. Vardeman II on 11/15/05.
 *  @author  Charles F. Vardeman II 
 *  @version $Id: OptionSectionParser.cpp,v 1.3 2005-12-05 22:23:57 gezelter Exp $
 *
 */

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

  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 oopse  
Revision:	788
Committed:	Mon Dec 5 22:23:57 2005 UTC (19 years, 4 months ago) by gezelter
File size:	3280 byte(s)
Log Message:	Adding handler for CLAY force field
#	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			* 1. Acknowledgement of the program authors must be made in any
10			* publication of scientific results based in part on use of the
11			* program. An acceptable form of acknowledgement is citation of
12			* the article in which the program was described (Matthew
13			* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14			* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15			* Parallel Simulation Engine for Molecular Dynamics,"
16			* J. Comput. Chem. 26, pp. 252-271 (2005))
17			*
18			* 2. Redistributions of source code must retain the above copyright
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*
41			*
42			* OptionSectionParser.cpp
43			* OOPSE-2.0
44			*
45			* Created by Charles F. Vardeman II on 11/15/05.
46			* @author Charles F. Vardeman II
47	gezelter	788	* @version $Id: OptionSectionParser.cpp,v 1.3 2005-12-05 22:23:57 gezelter Exp $
48	chuckv	748	*
49			*/
50
51			#include "io/OptionSectionParser.hpp"
52			#include "types/AtomType.hpp"
53			#include "UseTheForce/ForceField.hpp"
54			#include "utils/simError.h"
55	tim	749	#include "utils/StringUtils.hpp"
56	chuckv	748	namespace oopse {
57	tim	749
58			OptionSectionParser::OptionSectionParser(ForceFieldOptions& options) : options_(options) {
59			setSectionName("Options");
60			}
61	chuckv	748
62			void OptionSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){
63
64			StringTokenizer tokenizer(line);
65
66			if (tokenizer.countTokens() >= 2) {
67	tim	749	std::string optionName = tokenizer.nextToken();
68			std::string optionValue = tokenizer.nextToken();
69	chuckv	748
70	tim	749	options_.setData(optionName, optionValue);
71	chuckv	748
72			} else {
73			sprintf(painCave.errMsg, "OptionSectionParser Error: Not enough tokens at line %d\n",
74			lineNo);
75			painCave.isFatal = 1;
76			simError();
77			}
78
79			}
80
81	tim	749	void OptionSectionParser::validateSection() {
82			options_.validateOptions();
83			}
84
85	chuckv	748	} //end namespace oopse