src/io/SectionParser.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).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */
 
#include "io/SectionParser.hpp"
#include "utils/Trim.hpp"
namespace OpenMD {

  void SectionParser::parse(std::istream& input, ForceField& ff, int lineNo) {
    const int bufferSize = 65535;
    char buffer[bufferSize];
    std::string line;
    while(input.getline(buffer, bufferSize)) {
      ++lineNo;
      line = trimLeftCopy(buffer);
      //a line begins with "//" is comment
      // let's also call lines starting with # and ! as comments
      if (isEndSection(line)) {
        break;
      } else if ( line.empty() || 
                  (line.size() >= 2 && line[0] == '/' && line[1] == '/') ||
                  (line.size() >= 1 && line[0] == '#') || 
                  (line.size() >= 1 && line[0] == '!') ) {
        continue;
      } else {
        parseLine(ff, line, lineNo);
      }
    }
  }
  
  bool SectionParser::isEndSection(const std::string& line) {
    StringTokenizer tokenizer(line);
    
    if (tokenizer.countTokens() >= 2) {
      std::string keyword = tokenizer.nextToken();
      
      if (keyword != "end"){
        return false;
      } 
      
      std::string section = tokenizer.nextToken();
      if (section == sectionName_) {
        return true;
      }else {
        return false;
      }
      
    }else {
      return false;
    }
    
  }

}//namespace OpenMD
Revision:	1665
Committed:	Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File size:	3495 byte(s)
Log Message:	updated copyright notices
#	User	Rev	Content
1	gezelter	507	/*
2	gezelter	246	* 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	gezelter	246	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	gezelter	246	* 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	gezelter	1390	*
32			* 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	1665	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	gezelter	246	*/
42
43			#include "io/SectionParser.hpp"
44			#include "utils/Trim.hpp"
45	gezelter	1390	namespace OpenMD {
46	gezelter	246
47	gezelter	507	void SectionParser::parse(std::istream& input, ForceField& ff, int lineNo) {
48	gezelter	246	const int bufferSize = 65535;
49			char buffer[bufferSize];
50			std::string line;
51			while(input.getline(buffer, bufferSize)) {
52	gezelter	507	++lineNo;
53			line = trimLeftCopy(buffer);
54			//a line begins with "//" is comment
55	chrisfen	514	// let's also call lines starting with # and ! as comments
56	gezelter	507	if (isEndSection(line)) {
57	chrisfen	514	break;
58			} else if ( line.empty() \|\|
59			(line.size() >= 2 && line[0] == '/' && line[1] == '/') \|\|
60			(line.size() >= 1 && line[0] == '#') \|\|
61			(line.size() >= 1 && line[0] == '!') ) {
62			continue;
63	gezelter	507	} else {
64	chrisfen	514	parseLine(ff, line, lineNo);
65	gezelter	507	}
66	gezelter	246	}
67	gezelter	507	}
68	chrisfen	514
69	gezelter	507	bool SectionParser::isEndSection(const std::string& line) {
70	gezelter	246	StringTokenizer tokenizer(line);
71	chrisfen	514
72	gezelter	246	if (tokenizer.countTokens() >= 2) {
73	gezelter	507	std::string keyword = tokenizer.nextToken();
74	chrisfen	514
75	gezelter	507	if (keyword != "end"){
76	chrisfen	514	return false;
77	gezelter	507	}
78	chrisfen	514
79	gezelter	507	std::string section = tokenizer.nextToken();
80			if (section == sectionName_) {
81	chrisfen	514	return true;
82	gezelter	507	}else {
83	chrisfen	514	return false;
84	gezelter	507	}
85	chrisfen	514
86	gezelter	246	}else {
87	gezelter	507	return false;
88	gezelter	246	}
89	chrisfen	514
90	gezelter	507	}
91	gezelter	246
92	gezelter	1390	}//namespace OpenMD