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. |
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, 234107 (2008). |
39 |
+ |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
+ |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
|
*/ |
42 |
|
|
43 |
|
#include "selection/SelectionCompiler.hpp" |
44 |
|
#include "utils/StringUtils.hpp" |
45 |
< |
namespace oopse { |
45 |
> |
namespace OpenMD { |
46 |
|
|
47 |
< |
bool SelectionCompiler::compile(const std::string& filename, const std::string& script) { |
47 |
> |
bool SelectionCompiler::compile(const std::string& filename, |
48 |
> |
const std::string& script) { |
49 |
|
|
50 |
|
this->filename = filename; |
51 |
|
this->script = script; |
54 |
|
aatokenCompiled.clear(); |
55 |
|
|
56 |
|
if (internalCompile()) { |
57 |
< |
return true; |
57 |
> |
return true; |
58 |
|
} |
59 |
|
|
60 |
|
int icharEnd; |
61 |
|
if ((icharEnd = script.find('\r', ichCurrentCommand)) == std::string::npos && |
62 |
|
(icharEnd = script.find('\n', ichCurrentCommand)) == std::string::npos) { |
63 |
< |
icharEnd = script.size(); |
63 |
> |
icharEnd = script.size(); |
64 |
|
} |
65 |
|
errorLine = script.substr(ichCurrentCommand, icharEnd); |
66 |
|
return false; |
67 |
< |
} |
67 |
> |
} |
68 |
|
|
69 |
< |
bool SelectionCompiler::internalCompile(){ |
69 |
> |
bool SelectionCompiler::internalCompile(){ |
70 |
|
|
71 |
|
cchScript = script.size(); |
72 |
|
ichToken = 0; |
82 |
|
int tokCommand = Token::nada; |
83 |
|
|
84 |
|
for ( ; true; ichToken += cchToken) { |
85 |
< |
if (lookingAtLeadingWhitespace()) |
86 |
< |
continue; |
87 |
< |
//if (lookingAtComment()) |
88 |
< |
// continue; |
89 |
< |
bool endOfLine = lookingAtEndOfLine(); |
90 |
< |
if (endOfLine || lookingAtEndOfStatement()) { |
91 |
< |
if (tokCommand != Token::nada) { |
92 |
< |
if (! compileCommand(ltoken)) { |
93 |
< |
return false; |
94 |
< |
} |
95 |
< |
aatokenCompiled.push_back(atokenCommand); |
96 |
< |
lineNumbers.push_back(lineCurrent); |
97 |
< |
lineIndices.push_back(ichCurrentCommand); |
98 |
< |
ltoken.clear(); |
99 |
< |
tokCommand = Token::nada; |
100 |
< |
} |
85 |
> |
if (lookingAtLeadingWhitespace()) |
86 |
> |
continue; |
87 |
> |
//if (lookingAtComment()) |
88 |
> |
// continue; |
89 |
> |
bool endOfLine = lookingAtEndOfLine(); |
90 |
> |
if (endOfLine || lookingAtEndOfStatement()) { |
91 |
> |
if (tokCommand != Token::nada) { |
92 |
> |
if (! compileCommand(ltoken)) { |
93 |
> |
return false; |
94 |
> |
} |
95 |
> |
aatokenCompiled.push_back(atokenCommand); |
96 |
> |
lineNumbers.push_back(lineCurrent); |
97 |
> |
lineIndices.push_back(ichCurrentCommand); |
98 |
> |
ltoken.clear(); |
99 |
> |
tokCommand = Token::nada; |
100 |
> |
} |
101 |
|
|
102 |
< |
if (ichToken < cchScript) { |
103 |
< |
if (endOfLine) |
104 |
< |
++lineCurrent; |
105 |
< |
continue; |
106 |
< |
} |
107 |
< |
break; |
108 |
< |
} |
102 |
> |
if (ichToken < cchScript) { |
103 |
> |
if (endOfLine) |
104 |
> |
++lineCurrent; |
105 |
> |
continue; |
106 |
> |
} |
107 |
> |
break; |
108 |
> |
} |
109 |
|
|
110 |
< |
if (tokCommand != Token::nada) { |
111 |
< |
if (lookingAtString()) { |
112 |
< |
std::string str = getUnescapedStringLiteral(); |
113 |
< |
ltoken.push_back(Token(Token::string, str)); |
114 |
< |
continue; |
115 |
< |
} |
116 |
< |
//if ((tokCommand & Token::specialstring) != 0 && |
117 |
< |
// lookingAtSpecialString()) { |
118 |
< |
// std::string str = script.substr(ichToken, ichToken + cchToken); |
119 |
< |
// ltoken.push_back(Token(Token::string, str)); |
120 |
< |
// continue; |
121 |
< |
//} |
122 |
< |
if (lookingAtDecimal((tokCommand & Token::negnums) != 0)) { |
123 |
< |
float value = lexi_cast<float>(script.substr(ichToken, cchToken)); |
124 |
< |
std::cout << "encount an decimal: " << value << std::endl; |
125 |
< |
ltoken.push_back(Token(Token::decimal, boost::any(value))); |
126 |
< |
continue; |
127 |
< |
} |
128 |
< |
if (lookingAtInteger((tokCommand & Token::negnums) != 0)) { |
129 |
< |
|
130 |
< |
int val = lexi_cast<int>(script.substr(ichToken, cchToken)); |
131 |
< |
std::cout << "encount an integer: " << val << std::endl; |
132 |
< |
ltoken.push_back(Token(Token::integer, boost::any(val))); |
133 |
< |
continue; |
134 |
< |
} |
135 |
< |
} |
136 |
< |
|
137 |
< |
if (lookingAtLookupToken()) { |
138 |
< |
std::string ident = script.substr(ichToken, cchToken); |
139 |
< |
Token token; |
140 |
< |
Token* pToken = TokenMap::getInstance()->getToken(ident); |
141 |
< |
if (pToken != NULL) { |
142 |
< |
token = *pToken; |
143 |
< |
} else { |
144 |
< |
token = Token(Token::identifier, ident); |
145 |
< |
} |
144 |
< |
|
145 |
< |
int tok = token.tok; |
110 |
> |
if (tokCommand != Token::nada) { |
111 |
> |
if (lookingAtString()) { |
112 |
> |
std::string str = getUnescapedStringLiteral(); |
113 |
> |
ltoken.push_back(Token(Token::string, str)); |
114 |
> |
continue; |
115 |
> |
} |
116 |
> |
//if ((tokCommand & Token::specialstring) != 0 && |
117 |
> |
// lookingAtSpecialString()) { |
118 |
> |
// std::string str = script.substr(ichToken, ichToken + cchToken); |
119 |
> |
// ltoken.push_back(Token(Token::string, str)); |
120 |
> |
// continue; |
121 |
> |
//} |
122 |
> |
//if (lookingAtDecimal((tokCommand & Token::negnums) != 0)) { |
123 |
> |
if (lookingAtDecimal((tokCommand) != 0)) { |
124 |
> |
float value = lexi_cast<float>(script.substr(ichToken, cchToken)); |
125 |
> |
ltoken.push_back(Token(Token::decimal, boost::any(value))); |
126 |
> |
continue; |
127 |
> |
} |
128 |
> |
//if (lookingAtInteger((tokCommand & Token::negnums) != 0)) { |
129 |
> |
if (lookingAtInteger((tokCommand) != 0)) { |
130 |
> |
|
131 |
> |
int val = lexi_cast<int>(script.substr(ichToken, cchToken)); |
132 |
> |
ltoken.push_back(Token(Token::integer, boost::any(val))); |
133 |
> |
continue; |
134 |
> |
} |
135 |
> |
} |
136 |
> |
|
137 |
> |
if (lookingAtLookupToken()) { |
138 |
> |
std::string ident = script.substr(ichToken, cchToken); |
139 |
> |
Token token; |
140 |
> |
Token* pToken = TokenMap::getInstance()->getToken(ident); |
141 |
> |
if (pToken != NULL) { |
142 |
> |
token = *pToken; |
143 |
> |
} else { |
144 |
> |
token = Token(Token::identifier, ident); |
145 |
> |
} |
146 |
|
|
147 |
< |
switch (tokCommand) { |
148 |
< |
case Token::nada: |
149 |
< |
ichCurrentCommand = ichToken; |
150 |
< |
//tokenCommand = token; |
151 |
< |
tokCommand = tok; |
152 |
< |
if ((tokCommand & Token::command) == 0) |
153 |
< |
return commandExpected(); |
154 |
< |
break; |
147 |
> |
int tok = token.tok; |
148 |
> |
|
149 |
> |
switch (tokCommand) { |
150 |
> |
case Token::nada: |
151 |
> |
ichCurrentCommand = ichToken; |
152 |
> |
//tokenCommand = token; |
153 |
> |
tokCommand = tok; |
154 |
> |
if ((tokCommand & Token::command) == 0) |
155 |
> |
return commandExpected(); |
156 |
> |
break; |
157 |
|
|
158 |
< |
case Token::define: |
159 |
< |
if (ltoken.size() == 1) { |
160 |
< |
// we are looking at the variable name |
161 |
< |
if (tok != Token::identifier && |
162 |
< |
(tok & Token::predefinedset) != Token::predefinedset) |
163 |
< |
return invalidExpressionToken(ident); |
164 |
< |
} else { |
165 |
< |
// we are looking at the expression |
166 |
< |
if (tok != Token::identifier && |
167 |
< |
(tok & (Token::expression | Token::predefinedset)) == 0) |
168 |
< |
return invalidExpressionToken(ident); |
169 |
< |
} |
158 |
> |
case Token::define: |
159 |
> |
if (ltoken.size() == 1) { |
160 |
> |
// we are looking at the variable name |
161 |
> |
if (tok != Token::identifier && |
162 |
> |
(tok & Token::predefinedset) != Token::predefinedset) |
163 |
> |
return invalidExpressionToken(ident); |
164 |
> |
} else { |
165 |
> |
// we are looking at the expression |
166 |
> |
if (tok != Token::identifier && |
167 |
> |
(tok & (Token::expression | Token::predefinedset)) == 0) |
168 |
> |
return invalidExpressionToken(ident); |
169 |
> |
} |
170 |
|
|
171 |
< |
break; |
171 |
> |
break; |
172 |
|
|
173 |
< |
case Token::select: |
174 |
< |
if (tok != Token::identifier && (tok & Token::expression) == 0) |
175 |
< |
return invalidExpressionToken(ident); |
176 |
< |
break; |
177 |
< |
} |
178 |
< |
ltoken.push_back(token); |
179 |
< |
continue; |
180 |
< |
} |
173 |
> |
case Token::select: |
174 |
> |
if (tok != Token::identifier && (tok & Token::expression) == 0) |
175 |
> |
return invalidExpressionToken(ident); |
176 |
> |
break; |
177 |
> |
} |
178 |
> |
ltoken.push_back(token); |
179 |
> |
continue; |
180 |
> |
} |
181 |
|
|
182 |
< |
if (ltoken.size() == 0) { |
183 |
< |
return commandExpected(); |
184 |
< |
} |
182 |
> |
if (ltoken.empty()) { |
183 |
> |
return commandExpected(); |
184 |
> |
} |
185 |
|
|
186 |
< |
return unrecognizedToken(); |
186 |
> |
return unrecognizedToken(); |
187 |
|
} |
188 |
|
|
189 |
|
return true; |
208 |
|
if (ch == '\r') { |
209 |
|
++ichT; |
210 |
|
if (ichT < cchScript && script[ichT] == '\n') |
211 |
< |
++ichT; |
211 |
> |
++ichT; |
212 |
|
} else if (ch == '\n') { |
213 |
|
++ichT; |
214 |
|
} else { |
247 |
|
} |
248 |
|
cchToken = ichT - ichToken; |
249 |
|
|
248 |
– |
|
249 |
– |
std::cout << "lookingAtString: encount " << script.substr(ichToken, cchToken) << std::endl; |
250 |
|
return true; |
251 |
|
} |
252 |
|
|
253 |
|
|
254 |
< |
std::string SelectionCompiler::getUnescapedStringLiteral() { |
254 |
> |
std::string SelectionCompiler::getUnescapedStringLiteral() { |
255 |
|
/** @todo */ |
256 |
|
std::string sb(cchToken - 2, ' '); |
257 |
|
|
259 |
|
int ich = ichToken + 1; |
260 |
|
|
261 |
|
while (ich < ichMax) { |
262 |
< |
char ch = script[ich++]; |
263 |
< |
if (ch == '\\' && ich < ichMax) { |
264 |
< |
ch = script[ich++]; |
265 |
< |
switch (ch) { |
266 |
< |
case 'b': |
267 |
< |
ch = '\b'; |
268 |
< |
break; |
269 |
< |
case 'n': |
270 |
< |
ch = '\n'; |
271 |
< |
break; |
272 |
< |
case 't': |
273 |
< |
ch = '\t'; |
274 |
< |
break; |
275 |
< |
case 'r': |
276 |
< |
ch = '\r'; |
277 |
< |
// fall into |
278 |
< |
case '"': |
279 |
< |
case '\\': |
280 |
< |
case '\'': |
281 |
< |
break; |
282 |
< |
case 'x': |
283 |
< |
case 'u': |
284 |
< |
int digitCount = ch == 'x' ? 2 : 4; |
285 |
< |
if (ich < ichMax) { |
286 |
< |
int unicode = 0; |
287 |
< |
for (int k = digitCount; --k >= 0 && ich < ichMax; ) { |
288 |
< |
char chT = script[ich]; |
289 |
< |
int hexit = getHexitValue(chT); |
290 |
< |
if (hexit < 0) |
291 |
< |
break; |
292 |
< |
unicode <<= 4; |
293 |
< |
unicode += hexit; |
294 |
< |
++ich; |
295 |
< |
} |
296 |
< |
ch = (char)unicode; |
297 |
< |
} |
298 |
< |
} |
299 |
< |
} |
300 |
< |
sb.append(1, ch); |
262 |
> |
char ch = script[ich++]; |
263 |
> |
if (ch == '\\' && ich < ichMax) { |
264 |
> |
ch = script[ich++]; |
265 |
> |
switch (ch) { |
266 |
> |
case 'b': |
267 |
> |
ch = '\b'; |
268 |
> |
break; |
269 |
> |
case 'n': |
270 |
> |
ch = '\n'; |
271 |
> |
break; |
272 |
> |
case 't': |
273 |
> |
ch = '\t'; |
274 |
> |
break; |
275 |
> |
case 'r': |
276 |
> |
ch = '\r'; |
277 |
> |
// fall into |
278 |
> |
case '"': |
279 |
> |
case '\\': |
280 |
> |
case '\'': |
281 |
> |
break; |
282 |
> |
case 'x': |
283 |
> |
case 'u': |
284 |
> |
int digitCount = ch == 'x' ? 2 : 4; |
285 |
> |
if (ich < ichMax) { |
286 |
> |
int unicode = 0; |
287 |
> |
for (int k = digitCount; --k >= 0 && ich < ichMax; ) { |
288 |
> |
char chT = script[ich]; |
289 |
> |
int hexit = getHexitValue(chT); |
290 |
> |
if (hexit < 0) |
291 |
> |
break; |
292 |
> |
unicode <<= 4; |
293 |
> |
unicode += hexit; |
294 |
> |
++ich; |
295 |
> |
} |
296 |
> |
ch = (char)unicode; |
297 |
> |
} |
298 |
> |
} |
299 |
> |
} |
300 |
> |
sb.append(1, ch); |
301 |
|
} |
302 |
|
|
303 |
|
return sb; |
304 |
< |
} |
304 |
> |
} |
305 |
|
|
306 |
< |
int SelectionCompiler::getHexitValue(char ch) { |
306 |
> |
int SelectionCompiler::getHexitValue(char ch) { |
307 |
|
if (ch >= '0' && ch <= '9') |
308 |
< |
return ch - '0'; |
308 |
> |
return ch - '0'; |
309 |
|
else if (ch >= 'a' && ch <= 'f') |
310 |
< |
return 10 + ch - 'a'; |
310 |
> |
return 10 + ch - 'a'; |
311 |
|
else if (ch >= 'A' && ch <= 'F') |
312 |
< |
return 10 + ch - 'A'; |
312 |
> |
return 10 + ch - 'A'; |
313 |
|
else |
314 |
< |
return -1; |
315 |
< |
} |
314 |
> |
return -1; |
315 |
> |
} |
316 |
|
|
317 |
< |
bool SelectionCompiler::lookingAtSpecialString() { |
317 |
> |
bool SelectionCompiler::lookingAtSpecialString() { |
318 |
|
int ichT = ichToken; |
319 |
|
char ch = script[ichT]; |
320 |
|
while (ichT < cchScript && ch != ';' && ch != '\r' && ch != '\n') { |
321 |
< |
++ichT; |
321 |
> |
++ichT; |
322 |
|
} |
323 |
|
cchToken = ichT - ichToken; |
324 |
|
return cchToken > 0; |
325 |
< |
} |
325 |
> |
} |
326 |
|
|
327 |
< |
bool SelectionCompiler::lookingAtDecimal(bool allowNegative) { |
327 |
> |
bool SelectionCompiler::lookingAtDecimal(bool allowNegative) { |
328 |
|
if (ichToken == cchScript) { |
329 |
< |
return false; |
329 |
> |
return false; |
330 |
|
} |
331 |
|
|
332 |
|
int ichT = ichToken; |
333 |
|
if (script[ichT] == '-') { |
334 |
< |
++ichT; |
334 |
> |
++ichT; |
335 |
|
} |
336 |
|
bool digitSeen = false; |
337 |
|
char ch = 'X'; |
338 |
|
while (ichT < cchScript && std::isdigit(ch = script[ichT])) { |
339 |
< |
++ichT; |
340 |
< |
digitSeen = true; |
339 |
> |
++ichT; |
340 |
> |
digitSeen = true; |
341 |
|
} |
342 |
|
|
343 |
|
if (ichT == cchScript || ch != '.') { |
344 |
< |
return false; |
344 |
> |
return false; |
345 |
|
} |
346 |
|
|
347 |
< |
// to support 1.ca, let's check the character after the dot |
348 |
< |
// to determine if it is an alpha |
349 |
< |
if (ch == '.' && (ichT + 1 < cchScript) && std::isalpha(script[ichT + 1])) { |
350 |
< |
return false; |
347 |
> |
// to support DMPC.1, let's check the character before the dot |
348 |
> |
if (ch == '.' && (ichT > 0) && std::isalpha(script[ichT - 1])) { |
349 |
> |
return false; |
350 |
|
} |
351 |
|
|
352 |
|
++ichT; |
353 |
|
while (ichT < cchScript && std::isdigit(script[ichT])) { |
354 |
< |
++ichT; |
355 |
< |
digitSeen = true; |
354 |
> |
++ichT; |
355 |
> |
digitSeen = true; |
356 |
|
} |
357 |
|
cchToken = ichT - ichToken; |
358 |
|
return digitSeen; |
359 |
< |
} |
359 |
> |
} |
360 |
|
|
361 |
< |
bool SelectionCompiler::lookingAtInteger(bool allowNegative) { |
361 |
> |
bool SelectionCompiler::lookingAtInteger(bool allowNegative) { |
362 |
|
if (ichToken == cchScript) { |
363 |
< |
return false; |
363 |
> |
return false; |
364 |
|
} |
365 |
|
int ichT = ichToken; |
366 |
|
if (allowNegative && script[ichToken] == '-') { |
367 |
< |
++ichT; |
367 |
> |
++ichT; |
368 |
|
} |
369 |
|
int ichBeginDigits = ichT; |
370 |
|
while (ichT < cchScript && std::isdigit(script[ichT])) { |
371 |
< |
++ichT; |
371 |
> |
++ichT; |
372 |
|
} |
373 |
|
if (ichBeginDigits == ichT) { |
374 |
< |
return false; |
374 |
> |
return false; |
375 |
|
} |
376 |
|
cchToken = ichT - ichToken; |
377 |
|
return true; |
378 |
< |
} |
378 |
> |
} |
379 |
|
|
380 |
< |
bool SelectionCompiler::lookingAtLookupToken() { |
380 |
> |
bool SelectionCompiler::lookingAtLookupToken() { |
381 |
|
if (ichToken == cchScript) { |
382 |
< |
return false; |
382 |
> |
return false; |
383 |
|
} |
384 |
|
|
385 |
|
int ichT = ichToken; |
386 |
|
char ch; |
387 |
|
switch (ch = script[ichT++]) { |
388 |
< |
case '(': |
389 |
< |
case ')': |
390 |
< |
case ',': |
391 |
< |
case '*': |
392 |
< |
case '-': |
393 |
< |
case '[': |
394 |
< |
case ']': |
395 |
< |
case '+': |
396 |
< |
case ':': |
397 |
< |
case '@': |
398 |
< |
case '.': |
399 |
< |
case '%': |
400 |
< |
break; |
401 |
< |
case '&': |
402 |
< |
case '|': |
403 |
< |
if (ichT < cchScript && script[ichT] == ch) { |
404 |
< |
++ichT; |
405 |
< |
} |
406 |
< |
break; |
407 |
< |
case '<': |
408 |
< |
case '=': |
409 |
< |
case '>': |
410 |
< |
if (ichT < cchScript && ((ch = script[ichT]) == '<' || ch == '=' || ch == '>')) { |
411 |
< |
++ichT; |
412 |
< |
} |
413 |
< |
break; |
414 |
< |
case '/': |
415 |
< |
case '!': |
416 |
< |
if (ichT < cchScript && script[ichT] == '=') { |
417 |
< |
++ichT; |
418 |
< |
} |
419 |
< |
break; |
420 |
< |
default: |
422 |
< |
if ((ch < 'a' || ch > 'z') && (ch < 'A' && ch > 'Z') && ch != '_') { |
423 |
< |
return false; |
424 |
< |
} |
425 |
< |
case '?': // include question marks in identifier for atom expressions |
426 |
< |
while (ichT < cchScript && !std::isspace(ch = script[ichT]) && (std::isalpha(ch) ||std::isdigit(ch) || |
427 |
< |
ch == '_' || ch == '?') ) { |
388 |
> |
case '(': |
389 |
> |
case ')': |
390 |
> |
case ',': |
391 |
> |
case '[': |
392 |
> |
case ']': |
393 |
> |
break; |
394 |
> |
case '&': |
395 |
> |
case '|': |
396 |
> |
if (ichT < cchScript && script[ichT] == ch) { |
397 |
> |
++ichT; |
398 |
> |
} |
399 |
> |
break; |
400 |
> |
case '<': |
401 |
> |
case '=': |
402 |
> |
case '>': |
403 |
> |
if (ichT < cchScript && ((ch = script[ichT]) == '<' || ch == '=' || ch == '>')) { |
404 |
> |
++ichT; |
405 |
> |
} |
406 |
> |
break; |
407 |
> |
case '/': |
408 |
> |
case '!': |
409 |
> |
if (ichT < cchScript && script[ichT] == '=') { |
410 |
> |
++ichT; |
411 |
> |
} |
412 |
> |
break; |
413 |
> |
default: |
414 |
> |
if ((ch < 'a' || ch > 'z') && (ch < 'A' && ch > 'Z') && ch != '_') { |
415 |
> |
return false; |
416 |
> |
} |
417 |
> |
case '*': |
418 |
> |
case '?': // include question marks in identifier for atom expressions |
419 |
> |
while (ichT < cchScript && !std::isspace(ch = script[ichT]) && |
420 |
> |
(std::isalpha(ch) ||std::isdigit(ch) || ch == '_' || ch == '.' || ch == '*' || ch == '?' || ch == '+' || ch == '-' || ch == '[' || ch == ']') ){ |
421 |
|
|
422 |
< |
++ichT; |
423 |
< |
} |
424 |
< |
break; |
422 |
> |
++ichT; |
423 |
> |
} |
424 |
> |
break; |
425 |
|
} |
426 |
|
|
427 |
|
cchToken = ichT - ichToken; |
428 |
|
|
436 |
– |
std::cout << "lookingAtLookupToken: encount " << script.substr(ichToken, cchToken) << std::endl; |
429 |
|
return true; |
430 |
< |
} |
430 |
> |
} |
431 |
|
|
432 |
< |
bool SelectionCompiler::compileCommand(const std::vector<Token>& ltoken) { |
432 |
> |
bool SelectionCompiler::compileCommand(const std::vector<Token>& ltoken) { |
433 |
|
const Token& tokenCommand = ltoken[0]; |
434 |
|
int tokCommand = tokenCommand.tok; |
435 |
|
|
436 |
|
atokenCommand = ltoken; |
437 |
|
if ((tokCommand & Token::expressionCommand) != 0 && !compileExpression()) { |
438 |
< |
return false; |
438 |
> |
return false; |
439 |
|
} |
440 |
|
|
441 |
|
return true; |
442 |
< |
} |
442 |
> |
} |
443 |
|
|
444 |
< |
bool SelectionCompiler::compileExpression() { |
444 |
> |
bool SelectionCompiler::compileExpression() { |
445 |
|
/** todo */ |
446 |
< |
int i = 1; |
446 |
> |
unsigned int i = 1; |
447 |
|
int tokCommand = atokenCommand[0].tok; |
448 |
|
if (tokCommand == Token::define) { |
449 |
< |
i = 2; |
449 |
> |
i = 2; |
450 |
|
} else if ((tokCommand & Token::embeddedExpression) != 0) { |
451 |
< |
// look for the open parenthesis |
452 |
< |
while (i < atokenCommand.size() && |
453 |
< |
atokenCommand[i].tok != Token::leftparen) |
451 |
> |
// look for the open parenthesis |
452 |
> |
while (i < atokenCommand.size() && |
453 |
> |
atokenCommand[i].tok != Token::leftparen) |
454 |
|
++i; |
455 |
|
} |
456 |
|
|
457 |
|
if (i >= atokenCommand.size()) { |
458 |
< |
return true; |
458 |
> |
return true; |
459 |
|
} |
460 |
|
return compileExpression(i); |
461 |
|
} |
462 |
|
|
463 |
|
|
464 |
< |
bool SelectionCompiler::addTokenToPostfix(const Token& token) { |
464 |
> |
bool SelectionCompiler::addTokenToPostfix(const Token& token) { |
465 |
|
ltokenPostfix.push_back(token); |
466 |
|
return true; |
467 |
< |
} |
467 |
> |
} |
468 |
|
|
469 |
< |
bool SelectionCompiler::compileExpression(int itoken) { |
469 |
> |
bool SelectionCompiler::compileExpression(int itoken) { |
470 |
|
ltokenPostfix.clear(); |
471 |
|
for (int i = 0; i < itoken; ++i) { |
472 |
< |
addTokenToPostfix(atokenCommand[i]); |
472 |
> |
addTokenToPostfix(atokenCommand[i]); |
473 |
|
} |
474 |
|
|
475 |
|
atokenInfix = atokenCommand; |
477 |
|
|
478 |
|
addTokenToPostfix(Token::tokenExpressionBegin); |
479 |
|
if (!clauseOr()) { |
480 |
< |
return false; |
480 |
> |
return false; |
481 |
|
} |
482 |
|
|
483 |
|
addTokenToPostfix(Token::tokenExpressionEnd); |
484 |
|
if (itokenInfix != atokenInfix.size()) { |
485 |
< |
return endOfExpressionExpected(); |
485 |
> |
return endOfExpressionExpected(); |
486 |
|
} |
487 |
|
|
488 |
|
atokenCommand = ltokenPostfix; |
489 |
|
return true; |
490 |
< |
} |
490 |
> |
} |
491 |
|
|
492 |
< |
Token SelectionCompiler::tokenNext() { |
492 |
> |
Token SelectionCompiler::tokenNext() { |
493 |
|
if (itokenInfix == atokenInfix.size()) { |
494 |
< |
return Token(); |
494 |
> |
return Token(); |
495 |
|
} |
496 |
|
return atokenInfix[itokenInfix++]; |
497 |
< |
} |
497 |
> |
} |
498 |
|
|
499 |
< |
boost::any SelectionCompiler::valuePeek() { |
499 |
> |
boost::any SelectionCompiler::valuePeek() { |
500 |
|
if (itokenInfix == atokenInfix.size()) { |
501 |
< |
return boost::any(); |
501 |
> |
return boost::any(); |
502 |
|
} else { |
503 |
< |
return atokenInfix[itokenInfix].value; |
503 |
> |
return atokenInfix[itokenInfix].value; |
504 |
|
} |
505 |
< |
} |
505 |
> |
} |
506 |
|
|
507 |
< |
int SelectionCompiler::tokPeek() { |
507 |
> |
int SelectionCompiler::tokPeek() { |
508 |
|
if (itokenInfix == atokenInfix.size()) { |
509 |
< |
return 0; |
509 |
> |
return 0; |
510 |
|
}else { |
511 |
< |
return atokenInfix[itokenInfix].tok; |
511 |
> |
return atokenInfix[itokenInfix].tok; |
512 |
|
} |
513 |
< |
} |
513 |
> |
} |
514 |
|
|
515 |
< |
bool SelectionCompiler::clauseOr() { |
515 |
> |
bool SelectionCompiler::clauseOr() { |
516 |
|
if (!clauseAnd()) { |
517 |
< |
return false; |
517 |
> |
return false; |
518 |
|
} |
519 |
|
|
520 |
|
while (tokPeek() == Token::opOr) { |
521 |
< |
Token tokenOr = tokenNext(); |
522 |
< |
if (!clauseAnd()) { |
523 |
< |
return false; |
524 |
< |
} |
525 |
< |
addTokenToPostfix(tokenOr); |
521 |
> |
Token tokenOr = tokenNext(); |
522 |
> |
if (!clauseAnd()) { |
523 |
> |
return false; |
524 |
> |
} |
525 |
> |
addTokenToPostfix(tokenOr); |
526 |
|
} |
527 |
|
return true; |
528 |
< |
} |
528 |
> |
} |
529 |
|
|
530 |
< |
bool SelectionCompiler::clauseAnd() { |
530 |
> |
bool SelectionCompiler::clauseAnd() { |
531 |
|
if (!clauseNot()) { |
532 |
< |
return false; |
532 |
> |
return false; |
533 |
|
} |
534 |
|
|
535 |
|
while (tokPeek() == Token::opAnd) { |
536 |
< |
Token tokenAnd = tokenNext(); |
537 |
< |
if (!clauseNot()) { |
538 |
< |
return false; |
539 |
< |
} |
540 |
< |
addTokenToPostfix(tokenAnd); |
536 |
> |
Token tokenAnd = tokenNext(); |
537 |
> |
if (!clauseNot()) { |
538 |
> |
return false; |
539 |
> |
} |
540 |
> |
addTokenToPostfix(tokenAnd); |
541 |
|
} |
542 |
|
return true; |
543 |
< |
} |
543 |
> |
} |
544 |
|
|
545 |
< |
bool SelectionCompiler::clauseNot() { |
545 |
> |
bool SelectionCompiler::clauseNot() { |
546 |
|
if (tokPeek() == Token::opNot) { |
547 |
< |
Token tokenNot = tokenNext(); |
548 |
< |
if (!clauseNot()) { |
549 |
< |
return false; |
550 |
< |
} |
551 |
< |
return addTokenToPostfix(tokenNot); |
547 |
> |
Token tokenNot = tokenNext(); |
548 |
> |
if (!clauseNot()) { |
549 |
> |
return false; |
550 |
> |
} |
551 |
> |
return addTokenToPostfix(tokenNot); |
552 |
|
} |
553 |
|
return clausePrimitive(); |
554 |
< |
} |
554 |
> |
} |
555 |
|
|
556 |
< |
bool SelectionCompiler::clausePrimitive() { |
556 |
> |
bool SelectionCompiler::clausePrimitive() { |
557 |
|
int tok = tokPeek(); |
558 |
|
switch (tok) { |
559 |
< |
case Token::within: |
560 |
< |
return clauseWithin(); |
559 |
> |
case Token::within: |
560 |
> |
return clauseWithin(); |
561 |
|
|
562 |
< |
case Token::asterisk: |
563 |
< |
case Token::identifier: |
564 |
< |
return clauseChemObjName(); |
562 |
> |
case Token::asterisk: |
563 |
> |
case Token::identifier: |
564 |
> |
return clauseChemObjName(); |
565 |
|
|
566 |
< |
case Token::integer : |
567 |
< |
return clauseIndex(); |
568 |
< |
default: |
569 |
< |
if ((tok & Token::atomproperty) == Token::atomproperty) { |
570 |
< |
return clauseComparator(); |
571 |
< |
} |
572 |
< |
if ((tok & Token::predefinedset) != Token::predefinedset) { |
573 |
< |
break; |
574 |
< |
} |
575 |
< |
// fall into the code and below and just add the token |
576 |
< |
case Token::all: |
577 |
< |
case Token::none: |
578 |
< |
return addTokenToPostfix(tokenNext()); |
579 |
< |
case Token::leftparen: |
580 |
< |
tokenNext(); |
581 |
< |
if (!clauseOr()) { |
582 |
< |
return false; |
583 |
< |
} |
584 |
< |
if (tokenNext().tok != Token::rightparen) { |
585 |
< |
return rightParenthesisExpected(); |
586 |
< |
} |
587 |
< |
return true; |
566 |
> |
case Token::integer : |
567 |
> |
return clauseIndex(); |
568 |
> |
default: |
569 |
> |
if ((tok & Token::atomproperty) == Token::atomproperty) { |
570 |
> |
return clauseComparator(); |
571 |
> |
} |
572 |
> |
if ((tok & Token::predefinedset) != Token::predefinedset) { |
573 |
> |
break; |
574 |
> |
} |
575 |
> |
// fall into the code and below and just add the token |
576 |
> |
case Token::all: |
577 |
> |
case Token::none: |
578 |
> |
case Token::hull: |
579 |
> |
return addTokenToPostfix(tokenNext()); |
580 |
> |
case Token::leftparen: |
581 |
> |
tokenNext(); |
582 |
> |
if (!clauseOr()) { |
583 |
> |
return false; |
584 |
> |
} |
585 |
> |
if (tokenNext().tok != Token::rightparen) { |
586 |
> |
return rightParenthesisExpected(); |
587 |
> |
} |
588 |
> |
return true; |
589 |
|
} |
590 |
|
return unrecognizedExpressionToken(); |
591 |
< |
} |
591 |
> |
} |
592 |
|
|
593 |
< |
bool SelectionCompiler::clauseComparator() { |
593 |
> |
bool SelectionCompiler::clauseComparator() { |
594 |
|
Token tokenAtomProperty = tokenNext(); |
595 |
|
Token tokenComparator = tokenNext(); |
596 |
|
if ((tokenComparator.tok & Token::comparator) == 0) { |
597 |
< |
return comparisonOperatorExpected(); |
597 |
> |
return comparisonOperatorExpected(); |
598 |
|
} |
599 |
|
|
600 |
|
Token tokenValue = tokenNext(); |
601 |
|
if (tokenValue.tok != Token::integer && tokenValue.tok != Token::decimal) { |
602 |
< |
return numberExpected(); |
602 |
> |
return numberExpected(); |
603 |
|
} |
604 |
|
|
605 |
|
float val; |
606 |
|
if (tokenValue.value.type() == typeid(int)) { |
607 |
< |
val = boost::any_cast<int>(tokenValue.value); |
607 |
> |
val = boost::any_cast<int>(tokenValue.value); |
608 |
|
} else if (tokenValue.value.type() == typeid(float)) { |
609 |
< |
val = boost::any_cast<float>(tokenValue.value); |
609 |
> |
val = boost::any_cast<float>(tokenValue.value); |
610 |
|
} else { |
611 |
< |
return false; |
611 |
> |
return false; |
612 |
|
} |
613 |
|
|
614 |
|
boost::any floatVal; |
615 |
|
floatVal = val; |
616 |
|
return addTokenToPostfix(Token(tokenComparator.tok, |
617 |
< |
tokenAtomProperty.tok, floatVal)); |
618 |
< |
} |
617 |
> |
tokenAtomProperty.tok, floatVal)); |
618 |
> |
} |
619 |
|
|
620 |
< |
bool SelectionCompiler::clauseWithin() { |
620 |
> |
bool SelectionCompiler::clauseWithin() { |
621 |
|
tokenNext(); // WITHIN |
622 |
|
if (tokenNext().tok != Token::leftparen) { // ( |
623 |
< |
return leftParenthesisExpected(); |
623 |
> |
return leftParenthesisExpected(); |
624 |
|
} |
625 |
|
|
626 |
|
boost::any distance; |
627 |
|
Token tokenDistance = tokenNext(); // distance |
628 |
|
switch(tokenDistance.tok) { |
629 |
< |
case Token::integer: |
630 |
< |
case Token::decimal: |
631 |
< |
distance = tokenDistance.value; |
632 |
< |
break; |
633 |
< |
default: |
634 |
< |
return numberOrKeywordExpected(); |
629 |
> |
case Token::integer: |
630 |
> |
case Token::decimal: |
631 |
> |
distance = tokenDistance.value; |
632 |
> |
break; |
633 |
> |
default: |
634 |
> |
return numberOrKeywordExpected(); |
635 |
|
} |
636 |
|
|
637 |
|
if (tokenNext().tok != Token::opOr) { // , |
638 |
< |
return commaExpected(); |
638 |
> |
return commaExpected(); |
639 |
|
} |
640 |
|
|
641 |
|
if (! clauseOr()) { // *expression* |
642 |
< |
return false; |
642 |
> |
return false; |
643 |
|
} |
644 |
|
|
645 |
|
if (tokenNext().tok != Token::rightparen) { // )T |
646 |
< |
return rightParenthesisExpected(); |
646 |
> |
return rightParenthesisExpected(); |
647 |
|
} |
648 |
|
|
649 |
|
return addTokenToPostfix(Token(Token::within, distance)); |
650 |
< |
} |
650 |
> |
} |
651 |
|
|
652 |
< |
bool SelectionCompiler::clauseChemObjName() { |
653 |
< |
std::string chemObjName; |
654 |
< |
int tok = tokPeek(); |
662 |
< |
if (!clauseName(chemObjName)){ |
663 |
< |
return false; |
664 |
< |
} |
652 |
> |
bool SelectionCompiler::clauseChemObjName() { |
653 |
> |
Token token = tokenNext(); |
654 |
> |
if (token.tok == Token::identifier && token.value.type() == typeid(std::string)) { |
655 |
|
|
656 |
+ |
std::string name = boost::any_cast<std::string>(token.value); |
657 |
+ |
if (isNameValid(name)) { |
658 |
+ |
return addTokenToPostfix(Token(Token::name, name)); |
659 |
+ |
} else { |
660 |
+ |
return compileError("invalid name: " + name); |
661 |
+ |
} |
662 |
+ |
} |
663 |
|
|
664 |
< |
tok = tokPeek(); |
665 |
< |
//allow two dot at most |
666 |
< |
if (tok == Token::dot) { |
670 |
< |
tokenNext(); |
671 |
< |
chemObjName += "."; |
672 |
< |
if (!clauseName(chemObjName)) { |
673 |
< |
return false; |
674 |
< |
} |
675 |
< |
tok = tokPeek(); |
676 |
< |
if (tok == Token::dot) { |
677 |
< |
tokenNext(); |
678 |
< |
chemObjName += "."; |
664 |
> |
return false; |
665 |
> |
|
666 |
> |
} |
667 |
|
|
668 |
< |
if (!clauseName(chemObjName)) { |
669 |
< |
return false; |
670 |
< |
} |
671 |
< |
} |
672 |
< |
} |
668 |
> |
bool SelectionCompiler::isNameValid(const std::string& name) { |
669 |
> |
int nbracket = 0; |
670 |
> |
int ndot = 0; |
671 |
> |
for (unsigned int i = 0 ; i < name.size(); ++i) { |
672 |
> |
switch(name[i]) { |
673 |
|
|
674 |
< |
return addTokenToPostfix(Token(Token::name, chemObjName)); |
675 |
< |
} |
676 |
< |
|
677 |
< |
bool SelectionCompiler:: clauseName(std::string& name) { |
678 |
< |
|
679 |
< |
int tok = tokPeek(); |
680 |
< |
|
681 |
< |
if (tok == Token::asterisk || tok == Token::identifier) { |
682 |
< |
name += boost::any_cast<std::string>(tokenNext().value); |
683 |
< |
|
696 |
< |
while(true){ |
697 |
< |
tok = tokPeek(); |
698 |
< |
switch (tok) { |
699 |
< |
case Token::asterisk : |
700 |
< |
name += "*"; |
701 |
< |
tokenNext(); |
702 |
< |
break; |
703 |
< |
case Token::identifier : |
704 |
< |
name += boost::any_cast<std::string>(tokenNext().value); |
705 |
< |
break; |
706 |
< |
case Token::integer : |
707 |
< |
name += toString(boost::any_cast<int>(tokenNext().value)); |
708 |
< |
break; |
709 |
< |
case Token::dot : |
710 |
< |
return true; |
711 |
< |
default : |
712 |
< |
return true; |
713 |
< |
} |
714 |
< |
} |
715 |
< |
|
716 |
< |
}else { |
717 |
< |
return false; |
674 |
> |
case '[' : |
675 |
> |
++nbracket; |
676 |
> |
break; |
677 |
> |
case ']' : |
678 |
> |
--nbracket; |
679 |
> |
break; |
680 |
> |
case '.' : |
681 |
> |
++ndot; |
682 |
> |
break; |
683 |
> |
} |
684 |
|
} |
685 |
|
|
686 |
< |
} |
686 |
> |
//only allow 3 dots at most |
687 |
> |
return (ndot <=3 && nbracket == 0) ? true : false; |
688 |
> |
} |
689 |
|
|
690 |
< |
bool SelectionCompiler::clauseIndex(){ |
690 |
> |
bool SelectionCompiler::clauseIndex(){ |
691 |
|
Token token = tokenNext(); |
692 |
|
if (token.tok == Token::integer) { |
693 |
< |
int index = boost::any_cast<int>(token.value); |
694 |
< |
int tok = tokPeek(); |
695 |
< |
std::cout << "Token::to is " << Token::to << ", tok = " << tok << std::endl; |
696 |
< |
if (tok == Token::to) { |
697 |
< |
tokenNext(); |
698 |
< |
tok = tokPeek(); |
699 |
< |
if (tok != Token::integer) { |
700 |
< |
return numberExpected(); |
701 |
< |
} |
693 |
> |
int index = boost::any_cast<int>(token.value); |
694 |
> |
int tok = tokPeek(); |
695 |
> |
std::cout << "Token::to is " << Token::to << ", tok = " << tok << std::endl; |
696 |
> |
if (tok == Token::to) { |
697 |
> |
tokenNext(); |
698 |
> |
tok = tokPeek(); |
699 |
> |
if (tok != Token::integer) { |
700 |
> |
return numberExpected(); |
701 |
> |
} |
702 |
|
|
703 |
< |
boost::any intVal = tokenNext().value; |
704 |
< |
int first = index; |
705 |
< |
if (intVal.type() != typeid(int)){ |
706 |
< |
return false; |
707 |
< |
} |
708 |
< |
int second = boost::any_cast<int>(intVal); |
703 |
> |
boost::any intVal = tokenNext().value; |
704 |
> |
int first = index; |
705 |
> |
if (intVal.type() != typeid(int)){ |
706 |
> |
return false; |
707 |
> |
} |
708 |
> |
int second = boost::any_cast<int>(intVal); |
709 |
|
|
710 |
< |
return addTokenToPostfix(Token(Token::index, boost::any(std::make_pair(first, second)))); |
710 |
> |
return addTokenToPostfix(Token(Token::index, boost::any(std::make_pair(first, second)))); |
711 |
|
|
712 |
< |
}else { |
713 |
< |
return addTokenToPostfix(Token(Token::index, boost::any(index))); |
714 |
< |
} |
712 |
> |
}else { |
713 |
> |
return addTokenToPostfix(Token(Token::index, boost::any(index))); |
714 |
> |
} |
715 |
|
} else { |
716 |
< |
return numberExpected(); |
716 |
> |
return numberExpected(); |
717 |
|
} |
718 |
< |
} |
718 |
> |
} |
719 |
|
|
720 |
|
} |