# | Line 1 | Line 1 | |
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1 | < | /* |
1 | > | /* |
2 | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | |
3 | * | |
4 | * The University of Notre Dame grants you ("Licensee") a | |
# | Line 6 | Line 6 | |
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> | |
43 | + | #include <cstdio> |
44 | #include "io/SectionParserManager.hpp" | |
45 | #include "utils/Trim.hpp" | |
46 | #include "utils/simError.h" | |
47 | ||
48 | < | namespace oopse { |
48 | > | namespace OpenMD { |
49 | ||
50 | < | SectionParserManager::~SectionParserManager() { |
50 | > | SectionParserManager::~SectionParserManager() { |
51 | SectionParserManager::iterator i; | |
52 | for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { | |
53 | < | delete (i->sectionParser); |
53 | > | delete (i->sectionParser); |
54 | } | |
55 | sectionParsers_.clear(); | |
56 | < | } |
56 | > | } |
57 | ||
58 | < | void SectionParserManager::parse(std::istream& input, ForceField& ff) { |
58 | > | void SectionParserManager::parse(std::istream& input, ForceField& ff) { |
59 | ||
60 | //reset active flags | |
61 | SectionParserManager::iterator i; | |
62 | for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { | |
63 | < | i->isActive = false; |
63 | > | i->isActive = false; |
64 | } | |
65 | ||
66 | const int bufferSize = 65535; | |
# | Line 68 | Line 69 | void SectionParserManager::parse(std::istream& input, | |
69 | std::stack<std::string> sectionNameStack; | |
70 | //scan through the input stream and find section names | |
71 | while(input.getline(buffer, bufferSize)) { | |
72 | < | ++lineNo; |
72 | > | ++lineNo; |
73 | ||
74 | < | std::string line = trimLeftCopy(buffer); |
75 | < | //a line begins with "//" is a comment line |
76 | < | if ( line.empty() || (line.size() >= 2 && line[0] == '/' && line[1] == '/')) { |
77 | < | continue; |
78 | < | } else { |
79 | < | StringTokenizer tokenizer(line); |
80 | < | if (tokenizer.countTokens() < 2) { |
81 | < | continue; |
82 | < | } else { |
83 | < | std::string keyword = tokenizer.nextToken(); |
74 | > | std::string line = trimLeftCopy(buffer); |
75 | > | //a line begins with "//" is a comment line |
76 | > | if ( line.empty() || (line.size() >= 2 && line[0] == '/' |
77 | > | && line[1] == '/') ) { |
78 | > | continue; |
79 | > | } else { |
80 | > | StringTokenizer tokenizer(line); |
81 | > | if (tokenizer.countTokens() < 2) { |
82 | > | continue; |
83 | > | } else { |
84 | > | std::string keyword = tokenizer.nextToken(); |
85 | ||
86 | < | if (keyword == "begin") { |
87 | < | std::string section = tokenizer.nextToken(); |
88 | < | sectionNameStack.push(section); |
89 | < | |
90 | < | i = std::find_if(sectionParsers_.begin(), sectionParsers_.end(), 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()); |
94 | < | painCave.isFatal = 1; |
95 | < | simError(); |
96 | < | } else { |
97 | < | if (i->isActive) { |
98 | < | sprintf(painCave.errMsg, "SectionParserManager Error:find multiple %s section\n", |
99 | < | section.c_str()); |
100 | < | painCave.isFatal = 1; |
101 | < | simError(); |
102 | < | } else { |
103 | < | i->isActive = true; |
104 | < | i->lineNo = lineNo; |
105 | < | i->offset = input.tellg(); |
106 | < | } |
107 | < | } |
108 | < | } else if (keyword == "end") { |
109 | < | std::string section = tokenizer.nextToken(); |
110 | < | if (sectionNameStack.top() == section) { |
111 | < | sectionNameStack.pop(); |
112 | < | } else { |
113 | < | sprintf(painCave.errMsg, "SectionParserManager Error: begin %s and end %s does not match at line %d\n", |
114 | < | sectionNameStack.top().c_str(), section.c_str(), lineNo); |
115 | < | painCave.isFatal = 1; |
116 | < | simError(); |
117 | < | } |
118 | < | |
119 | < | } else { |
120 | < | continue; |
121 | < | } |
122 | < | } |
123 | < | } |
124 | < | |
86 | > | if (keyword == "begin") { |
87 | > | std::string section = tokenizer.nextToken(); |
88 | > | sectionNameStack.push(section); |
89 | > | |
90 | > | i = std::find_if(sectionParsers_.begin(), sectionParsers_.end(), |
91 | > | SameSectionParserFunctor(section)); |
92 | > | if (i == sectionParsers_.end()){ |
93 | > | sprintf(painCave.errMsg, |
94 | > | "SectionParserManager Error: Can not find corresponding " |
95 | > | "section parser for %s\n", |
96 | > | section.c_str()); |
97 | > | painCave.isFatal = 1; |
98 | > | simError(); |
99 | > | } else { |
100 | > | if (i->isActive) { |
101 | > | sprintf(painCave.errMsg, "SectionParserManager Error:find multiple %s " |
102 | > | "section\n", |
103 | > | section.c_str()); |
104 | > | painCave.isFatal = 1; |
105 | > | simError(); |
106 | > | } else { |
107 | > | i->isActive = true; |
108 | > | i->lineNo = lineNo; |
109 | > | i->offset = input.tellg(); |
110 | > | } |
111 | > | } |
112 | > | } else if (keyword == "end") { |
113 | > | std::string section = tokenizer.nextToken(); |
114 | > | if (sectionNameStack.top() == section) { |
115 | > | sectionNameStack.pop(); |
116 | > | } else { |
117 | > | sprintf(painCave.errMsg, "SectionParserManager Error: begin %s and end %s does not match at line %d\n", |
118 | > | sectionNameStack.top().c_str(), section.c_str(), lineNo); |
119 | > | painCave.isFatal = 1; |
120 | > | simError(); |
121 | > | } |
122 | > | |
123 | > | } else { |
124 | > | continue; |
125 | > | } |
126 | > | } |
127 | > | } |
128 | > | |
129 | } | |
130 | < | |
130 | > | |
131 | if (!sectionNameStack.empty()) { | |
132 | < | sprintf(painCave.errMsg, "SectionParserManager Error: stack is not empty\n"); |
133 | < | painCave.isFatal = 1; |
134 | < | simError(); |
132 | > | sprintf(painCave.errMsg, "SectionParserManager Error: stack is not empty\n"); |
133 | > | painCave.isFatal = 1; |
134 | > | simError(); |
135 | } | |
136 | < | |
136 | > | |
137 | //invoke parser | |
138 | for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { | |
139 | < | if (i->isActive) { |
140 | < | //C++ standard does not guarantee seekg reset EOF, in that case, seekg will fail |
141 | < | //It is always a good idea to call clear() before seek |
142 | < | input.clear(); |
143 | < | input.seekg(i->offset); |
144 | < | (i->sectionParser)->parse(input, ff, i->lineNo); |
145 | < | } |
139 | > | if (i->isActive) { |
140 | > | //C++ standard does not guarantee seekg reset EOF, in that case, seekg will fail |
141 | > | //It is always a good idea to call clear() before seek |
142 | > | input.clear(); |
143 | > | input.seekg(i->offset); |
144 | > | (i->sectionParser)->parse(input, ff, i->lineNo); |
145 | > | (i->sectionParser)->validateSection(); |
146 | > | } |
147 | } | |
148 | ||
149 | < | } |
150 | < | |
151 | < | void SectionParserManager::push_front(SectionParser* sp) { |
149 | > | } |
150 | > | |
151 | > | void SectionParserManager::push_front(SectionParser* sp) { |
152 | SectionParserManager::iterator i; | |
153 | i = findSectionParser(sp->getSectionName()); | |
154 | if (i != sectionParsers_.end()) { | |
155 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
156 | < | return; |
155 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
156 | > | << std::endl; |
157 | > | return; |
158 | } | |
159 | ||
160 | SectionParserContext context; | |
161 | ||
162 | if (sectionParsers_.empty()) { | |
163 | < | context.priority = beginPriority_; |
163 | > | context.priority = beginPriority_; |
164 | } else { | |
165 | < | context.priority = sectionParsers_.front().priority - priorityDifference_; |
165 | > | context.priority = sectionParsers_.front().priority - priorityDifference_; |
166 | } | |
167 | < | |
167 | > | |
168 | context.sectionParser = sp; | |
169 | context.lineNo = 0; | |
170 | context.offset = 0; | |
171 | context.isActive = false; | |
172 | ||
173 | sectionParsers_.push_front(context); | |
174 | < | } |
174 | > | } |
175 | ||
176 | < | void SectionParserManager::push_back(SectionParser* sp) { |
176 | > | void SectionParserManager::push_back(SectionParser* sp) { |
177 | SectionParserManager::iterator i; | |
178 | i = findSectionParser(sp->getSectionName()); | |
179 | if (i != sectionParsers_.end()) { | |
180 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
181 | < | return; |
180 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
181 | > | << std::endl; |
182 | > | return; |
183 | } | |
184 | ||
185 | SectionParserContext context; | |
186 | if (sectionParsers_.empty()) { | |
187 | < | context.priority = beginPriority_; |
187 | > | context.priority = beginPriority_; |
188 | } else { | |
189 | < | context.priority = sectionParsers_.back().priority + priorityDifference_; |
189 | > | context.priority = sectionParsers_.back().priority + priorityDifference_; |
190 | } | |
191 | ||
192 | context.sectionParser = sp; | |
# | Line 187 | Line 196 | void SectionParserManager::push_back(SectionParser* sp | |
196 | ||
197 | sectionParsers_.push_back(context); | |
198 | ||
199 | < | } |
199 | > | } |
200 | ||
201 | < | void SectionParserManager::insert(SectionParser* sp, int priority) { |
201 | > | void SectionParserManager::insert(SectionParser* sp, int priority) { |
202 | SectionParserManager::iterator i; | |
203 | i = findSectionParser(sp->getSectionName()); | |
204 | if (i != sectionParsers_.end()) { | |
205 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
205 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
206 | > | << std::endl; |
207 | } | |
208 | ||
209 | SectionParserContext context; | |
# | Line 204 | Line 214 | void SectionParserManager::insert(SectionParser* sp, i | |
214 | context.isActive = false; | |
215 | ||
216 | if (sectionParsers_.empty()) { | |
217 | < | sectionParsers_.push_back(context); |
217 | > | sectionParsers_.push_back(context); |
218 | } else { | |
219 | ||
220 | < | for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { |
221 | < | if (i->priority == priority) { |
222 | < | std::cerr << "Priority " << priority << " already used" << std::endl; |
223 | < | return; |
224 | < | } else if (i->priority > priority) { |
225 | < | sectionParsers_.insert(i, context); |
226 | < | break; |
227 | < | } |
220 | > | for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { |
221 | > | if (i->priority == priority) { |
222 | > | std::cerr << "Priority " << priority << " already used" << std::endl; |
223 | > | return; |
224 | > | } else if (i->priority > priority) { |
225 | > | sectionParsers_.insert(i, context); |
226 | > | break; |
227 | > | } |
228 | ||
229 | < | } |
229 | > | } |
230 | } | |
231 | ||
232 | < | } |
232 | > | } |
233 | ||
234 | ||
235 | < | SectionParserManager::iterator SectionParserManager::findSectionParser(const std::string& sectionName) { |
235 | > | SectionParserManager::iterator SectionParserManager::findSectionParser(const std::string& sectionName) { |
236 | SectionParserManager::iterator i; | |
237 | for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { | |
238 | < | if (i->sectionParser->getSectionName() == sectionName) { |
239 | < | break; |
240 | < | } |
238 | > | if (i->sectionParser->getSectionName() == sectionName) { |
239 | > | break; |
240 | > | } |
241 | } | |
242 | ||
243 | return i; | |
244 | < | } |
244 | > | } |
245 | ||
246 | } |
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