# | Line 6 | Line 6 | |
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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 |
9 | > | * 1. Redistributions of source code must retain the above copyright |
10 | * notice, this list of conditions and the following disclaimer. | |
11 | * | |
12 | < | * 3. Redistributions in binary form must reproduce the above copyright |
12 | > | * 2. Redistributions in binary form must reproduce the above copyright |
13 | * notice, this list of conditions and the following disclaimer in the | |
14 | * documentation and/or other materials provided with the | |
15 | * distribution. | |
# | Line 37 | Line 28 | |
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 | + | * 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 | + | * [4] Vardeman & Gezelter, in progress (2009). |
40 | */ | |
41 | #include <algorithm> | |
42 | #include <stack> | |
# | Line 44 | Line 44 | |
44 | #include "utils/Trim.hpp" | |
45 | #include "utils/simError.h" | |
46 | ||
47 | < | namespace oopse { |
47 | > | namespace OpenMD { |
48 | ||
49 | SectionParserManager::~SectionParserManager() { | |
50 | SectionParserManager::iterator i; | |
# | Line 72 | Line 72 | namespace oopse { | |
72 | ||
73 | std::string line = trimLeftCopy(buffer); | |
74 | //a line begins with "//" is a comment line | |
75 | < | if ( line.empty() || (line.size() >= 2 && line[0] == '/' && line[1] == '/')) { |
75 | > | if ( line.empty() || (line.size() >= 2 && line[0] == '/' |
76 | > | && line[1] == '/') ) { |
77 | continue; | |
78 | } else { | |
79 | StringTokenizer tokenizer(line); | |
# | Line 84 | Line 85 | namespace oopse { | |
85 | if (keyword == "begin") { | |
86 | std::string section = tokenizer.nextToken(); | |
87 | sectionNameStack.push(section); | |
88 | < | |
89 | < | i = std::find_if(sectionParsers_.begin(), sectionParsers_.end(), SameSectionParserFunctor(section)); |
88 | > | |
89 | > | i = std::find_if(sectionParsers_.begin(), sectionParsers_.end(), |
90 | > | SameSectionParserFunctor(section)); |
91 | if (i == sectionParsers_.end()){ | |
92 | < | sprintf(painCave.errMsg, "SectionParserManager Error: Can not find corresponding section parser for %s\n", |
93 | < | section.c_str()); |
92 | > | sprintf(painCave.errMsg, |
93 | > | "SectionParserManager Error: Can not find corresponding " |
94 | > | "section parser for %s\n", |
95 | > | section.c_str()); |
96 | painCave.isFatal = 1; | |
97 | simError(); | |
98 | } else { | |
99 | if (i->isActive) { | |
100 | < | sprintf(painCave.errMsg, "SectionParserManager Error:find multiple %s section\n", |
101 | < | section.c_str()); |
102 | < | painCave.isFatal = 1; |
103 | < | simError(); |
100 | > | sprintf(painCave.errMsg, "SectionParserManager Error:find multiple %s " |
101 | > | "section\n", |
102 | > | section.c_str()); |
103 | > | painCave.isFatal = 1; |
104 | > | simError(); |
105 | } else { | |
106 | < | i->isActive = true; |
107 | < | i->lineNo = lineNo; |
108 | < | i->offset = input.tellg(); |
106 | > | i->isActive = true; |
107 | > | i->lineNo = lineNo; |
108 | > | i->offset = input.tellg(); |
109 | } | |
110 | } | |
111 | } else if (keyword == "end") { | |
# | Line 109 | Line 114 | namespace oopse { | |
114 | sectionNameStack.pop(); | |
115 | } else { | |
116 | sprintf(painCave.errMsg, "SectionParserManager Error: begin %s and end %s does not match at line %d\n", | |
117 | < | sectionNameStack.top().c_str(), section.c_str(), lineNo); |
117 | > | sectionNameStack.top().c_str(), section.c_str(), lineNo); |
118 | painCave.isFatal = 1; | |
119 | simError(); | |
120 | } | |
121 | < | |
121 | > | |
122 | } else { | |
123 | continue; | |
124 | } | |
125 | } | |
126 | } | |
127 | < | |
127 | > | |
128 | } | |
129 | < | |
129 | > | |
130 | if (!sectionNameStack.empty()) { | |
131 | sprintf(painCave.errMsg, "SectionParserManager Error: stack is not empty\n"); | |
132 | painCave.isFatal = 1; | |
133 | simError(); | |
134 | } | |
135 | < | |
135 | > | |
136 | //invoke parser | |
137 | for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { | |
138 | if (i->isActive) { | |
139 | < | //C++ standard does not guarantee seekg reset EOF, in that case, seekg will fail |
140 | < | //It is always a good idea to call clear() before seek |
141 | < | input.clear(); |
142 | < | input.seekg(i->offset); |
143 | < | (i->sectionParser)->parse(input, ff, i->lineNo); |
139 | > | //C++ standard does not guarantee seekg reset EOF, in that case, seekg will fail |
140 | > | //It is always a good idea to call clear() before seek |
141 | > | input.clear(); |
142 | > | input.seekg(i->offset); |
143 | > | (i->sectionParser)->parse(input, ff, i->lineNo); |
144 | > | (i->sectionParser)->validateSection(); |
145 | } | |
146 | } | |
147 | ||
148 | } | |
149 | < | |
149 | > | |
150 | void SectionParserManager::push_front(SectionParser* sp) { | |
151 | SectionParserManager::iterator i; | |
152 | i = findSectionParser(sp->getSectionName()); | |
153 | if (i != sectionParsers_.end()) { | |
154 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
154 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
155 | > | << std::endl; |
156 | return; | |
157 | } | |
158 | ||
# | Line 156 | Line 163 | namespace oopse { | |
163 | } else { | |
164 | context.priority = sectionParsers_.front().priority - priorityDifference_; | |
165 | } | |
166 | < | |
166 | > | |
167 | context.sectionParser = sp; | |
168 | context.lineNo = 0; | |
169 | context.offset = 0; | |
# | Line 169 | Line 176 | namespace oopse { | |
176 | SectionParserManager::iterator i; | |
177 | i = findSectionParser(sp->getSectionName()); | |
178 | if (i != sectionParsers_.end()) { | |
179 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
179 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
180 | > | << std::endl; |
181 | return; | |
182 | } | |
183 | ||
# | Line 193 | Line 201 | namespace oopse { | |
201 | SectionParserManager::iterator i; | |
202 | i = findSectionParser(sp->getSectionName()); | |
203 | if (i != sectionParsers_.end()) { | |
204 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
204 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
205 | > | << std::endl; |
206 | } | |
207 | ||
208 | SectionParserContext context; | |
# | Line 226 | Line 235 | namespace oopse { | |
235 | SectionParserManager::iterator i; | |
236 | for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { | |
237 | if (i->sectionParser->getSectionName() == sectionName) { | |
238 | < | break; |
238 | > | break; |
239 | } | |
240 | } | |
241 |
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