49 |
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namespace oopse { |
50 |
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|
51 |
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|
52 |
< |
SelectionEvaluator::SelectionEvaluator(SimInfo* si, const std::string& script) : info(si), finder(info){ |
52 |
> |
SelectionEvaluator::SelectionEvaluator(SimInfo* si) |
53 |
> |
: info(si), nameFinder(info), distanceFinder(info), indexFinder(info), isLoaded_(false){ |
54 |
> |
|
55 |
> |
nStuntDouble = info->getNGlobalAtoms() + info->getNRigidBodies(); |
56 |
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} |
57 |
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|
58 |
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bool SelectionEvaluator::loadScript(const std::string& filename, const std::string& script) { |
59 |
+ |
clearDefinitionsAndLoadPredefined(); |
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this->filename = filename; |
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this->script = script; |
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if (! compiler.compile(filename, script)) { |
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error = true; |
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errorMessage = compiler.getErrorMessage(); |
65 |
+ |
std::cerr << "SelectionCompiler Error: " << errorMessage << std::endl; |
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return false; |
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} |
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|
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aatoken = compiler.getAatokenCompiled(); |
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linenumbers = compiler.getLineNumbers(); |
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lineIndices = compiler.getLineIndices(); |
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+ |
|
74 |
+ |
std::vector<std::vector<Token> >::const_iterator i; |
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+ |
|
76 |
+ |
isDynamic_ = false; |
77 |
+ |
for (i = aatoken.begin(); i != aatoken.end(); ++i) { |
78 |
+ |
if (containDynamicToken(*i)) { |
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isDynamic_ = true; |
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break; |
81 |
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} |
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} |
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|
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isLoaded_ = true; |
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return true; |
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} |
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|
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void SelectionEvaluator::clearState() { |
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for (int i = scriptLevelMax; --i >= 0; ) |
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– |
stack[i].clear(); |
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– |
scriptLevel = 0; |
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error = false; |
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errorMessage = ""; |
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} |
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} |
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|
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bool SelectionEvaluator::loadScriptFileInternal(const std::string & filename) { |
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< |
return true; /**@todo */ |
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> |
std::ifstream ifs(filename.c_str()); |
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> |
if (!ifs.is_open()) { |
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> |
return false; |
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> |
} |
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> |
|
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> |
const int bufferSize = 65535; |
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> |
char buffer[bufferSize]; |
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> |
std::string script; |
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> |
while(ifs.getline(buffer, bufferSize)) { |
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> |
script += buffer; |
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> |
} |
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> |
return loadScript(filename, script); |
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} |
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|
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< |
void SelectionEvaluator::instructionDispatchLoop(){ |
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< |
|
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> |
void SelectionEvaluator::instructionDispatchLoop(BitSet& bs){ |
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> |
|
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while ( pc < aatoken.size()) { |
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statement = aatoken[pc++]; |
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statementLength = statement.size(); |
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define(); |
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break; |
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case Token::select: |
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< |
select(); |
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> |
select(bs); |
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break; |
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default: |
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unrecognizedCommand(token); |
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return; |
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} |
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} |
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+ |
|
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} |
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|
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BitSet SelectionEvaluator::expression(const std::vector<Token>& code, int pcStart) { |
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BitSet bs; |
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std::stack<BitSet> stack; |
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|
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< |
for (int pc = pcStart; ; ++pc) { |
143 |
> |
for (int pc = pcStart; pc < code.size(); ++pc) { |
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Token instruction = code[pc]; |
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|
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switch (instruction.tok) { |
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case Token::name: |
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stack.push(nameInstruction(boost::any_cast<std::string>(instruction.value))); |
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break; |
183 |
+ |
case Token::index: |
184 |
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stack.push(indexInstruction(instruction.value)); |
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break; |
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case Token::identifier: |
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stack.push(lookupValue(boost::any_cast<std::string>(instruction.value))); |
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float comparisonValue = boost::any_cast<float>(instruction.value); |
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float propertyValue; |
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BitSet bs(nStuntDouble); |
215 |
+ |
bs.clearAll(); |
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|
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SimInfo::MoleculeIterator mi; |
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Molecule* mol; |
227 |
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compareProperty(atom, bs, property, comparator, comparisonValue); |
228 |
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} |
229 |
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|
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//change the positions of atoms which belong to the rigidbodies |
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for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) { |
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compareProperty(rb, bs, property, comparator, comparisonValue); |
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} |
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} |
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|
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void SelectionEvaluator::compareProperty(StuntDouble* sd, BitSet& bs, int property, int comparator, float comparisonValue) { |
239 |
< |
double propertyValue; |
239 |
> |
double propertyValue = 0.0; |
240 |
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switch (property) { |
241 |
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case Token::mass: |
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propertyValue = sd->getMass(); |
243 |
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break; |
244 |
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case Token::charge: |
245 |
< |
return; |
246 |
< |
//break; |
247 |
< |
case Token::dipole: |
248 |
< |
return; |
249 |
< |
//break; |
245 |
> |
if (sd->isAtom()){ |
246 |
> |
Atom* atom = static_cast<Atom*>(sd); |
247 |
> |
propertyValue = getCharge(atom); |
248 |
> |
} else if (sd->isRigidBody()) { |
249 |
> |
RigidBody* rb = static_cast<RigidBody*>(sd); |
250 |
> |
RigidBody::AtomIterator ai; |
251 |
> |
Atom* atom; |
252 |
> |
for (atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) { |
253 |
> |
propertyValue+= getCharge(atom); |
254 |
> |
} |
255 |
> |
} |
256 |
> |
break; |
257 |
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default: |
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unrecognizedAtomProperty(property); |
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} |
285 |
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} |
286 |
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|
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void SelectionEvaluator::withinInstruction(const Token& instruction, BitSet& bs){ |
288 |
< |
|
288 |
> |
|
289 |
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boost::any withinSpec = instruction.value; |
290 |
+ |
float distance; |
291 |
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if (withinSpec.type() == typeid(float)){ |
292 |
< |
// |
293 |
< |
return; |
292 |
> |
distance = boost::any_cast<float>(withinSpec); |
293 |
> |
} else if (withinSpec.type() == typeid(int)) { |
294 |
> |
distance = boost::any_cast<int>(withinSpec); |
295 |
> |
} else { |
296 |
> |
evalError("casting error in withinInstruction"); |
297 |
> |
bs.clearAll(); |
298 |
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} |
299 |
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|
300 |
< |
evalError("Unrecognized within parameter"); |
300 |
> |
bs = distanceFinder.find(bs, distance); |
301 |
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} |
302 |
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|
303 |
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void SelectionEvaluator::define() { |
305 |
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|
306 |
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std::string variable = boost::any_cast<std::string>(statement[1].value); |
307 |
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|
308 |
< |
variables.insert(std::make_pair(variable, expression(statement, 2))); |
308 |
> |
variables.insert(VariablesType::value_type(variable, expression(statement, 2))); |
309 |
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} |
310 |
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|
311 |
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|
324 |
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int tok = statement[1].tok; |
325 |
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if (tok == Token::identifier || (tok & Token::predefinedset) == Token::predefinedset) { |
326 |
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std::string variable = boost::any_cast<std::string>(statement[1].value); |
327 |
< |
variables.insert(std::make_pair(variable, statement)); |
327 |
> |
variables.insert(VariablesType::value_type(variable, statement)); |
328 |
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|
329 |
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} else { |
330 |
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evalError("invalid variable name:" + script); |
341 |
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|
342 |
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} |
343 |
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|
344 |
< |
void SelectionEvaluator::select(){ |
345 |
< |
//viewer.setSelectionSet(expression(statement, 1)); |
344 |
> |
void SelectionEvaluator::select(BitSet& bs){ |
345 |
> |
bs = expression(statement, 1); |
346 |
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} |
347 |
|
|
348 |
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BitSet SelectionEvaluator::lookupValue(const std::string& variable){ |
349 |
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|
350 |
+ |
BitSet bs(nStuntDouble); |
351 |
|
std::map<std::string, boost::any>::iterator i = variables.find(variable); |
352 |
< |
|
352 |
> |
|
353 |
|
if (i != variables.end()) { |
354 |
|
if (i->second.type() == typeid(BitSet)) { |
355 |
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return boost::any_cast<BitSet>(i->second); |
356 |
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} else if (i->second.type() == typeid(std::vector<Token>)){ |
357 |
< |
BitSet bs = expression(boost::any_cast<std::vector<Token> >(i->second), 2); |
357 |
> |
bs = expression(boost::any_cast<std::vector<Token> >(i->second), 2); |
358 |
|
i->second = bs; /**@todo fixme */ |
359 |
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return bs; |
360 |
|
} |
361 |
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} else { |
362 |
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unrecognizedIdentifier(variable); |
363 |
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} |
364 |
+ |
|
365 |
+ |
return bs; |
366 |
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} |
367 |
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|
368 |
|
BitSet SelectionEvaluator::nameInstruction(const std::string& name){ |
326 |
– |
BitSet bs(nStuntDouble); |
369 |
|
|
370 |
< |
bool hasError = finder.match(name, bs); |
371 |
< |
|
330 |
< |
return bs; |
370 |
> |
return nameFinder.match(name); |
371 |
> |
|
372 |
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} |
373 |
|
|
374 |
+ |
bool SelectionEvaluator::containDynamicToken(const std::vector<Token>& tokens){ |
375 |
+ |
std::vector<Token>::const_iterator i; |
376 |
+ |
for (i = tokens.begin(); i != tokens.end(); ++i) { |
377 |
+ |
if (i->tok & Token::dynamic) { |
378 |
+ |
return true; |
379 |
+ |
} |
380 |
+ |
} |
381 |
|
|
382 |
+ |
return false; |
383 |
+ |
} |
384 |
+ |
|
385 |
+ |
void SelectionEvaluator::clearDefinitionsAndLoadPredefined() { |
386 |
+ |
variables.clear(); |
387 |
+ |
//load predefine |
388 |
+ |
//predefine(); |
389 |
|
} |
390 |
+ |
|
391 |
+ |
BitSet SelectionEvaluator::evaluate() { |
392 |
+ |
BitSet bs(nStuntDouble); |
393 |
+ |
if (isLoaded_) { |
394 |
+ |
pc = 0; |
395 |
+ |
instructionDispatchLoop(bs); |
396 |
+ |
} |
397 |
+ |
|
398 |
+ |
return bs; |
399 |
+ |
} |
400 |
+ |
|
401 |
+ |
BitSet SelectionEvaluator::indexInstruction(const boost::any& value) { |
402 |
+ |
BitSet bs(nStuntDouble); |
403 |
+ |
|
404 |
+ |
if (value.type() == typeid(int)) { |
405 |
+ |
int index = boost::any_cast<int>(value); |
406 |
+ |
if (index < 0 || index >= bs.size()) { |
407 |
+ |
invalidIndex(index); |
408 |
+ |
} else { |
409 |
+ |
bs = indexFinder.find(index); |
410 |
+ |
} |
411 |
+ |
} else if (value.type() == typeid(std::pair<int, int>)) { |
412 |
+ |
std::pair<int, int> indexRange= boost::any_cast<std::pair<int, int> >(value); |
413 |
+ |
assert(indexRange.first <= indexRange.second); |
414 |
+ |
if (indexRange.first < 0 || indexRange.second >= bs.size()) { |
415 |
+ |
invalidIndexRange(indexRange); |
416 |
+ |
}else { |
417 |
+ |
bs = indexFinder.find(indexRange.first, indexRange.second); |
418 |
+ |
} |
419 |
+ |
} |
420 |
+ |
|
421 |
+ |
return bs; |
422 |
+ |
} |
423 |
+ |
|
424 |
+ |
|
425 |
+ |
double SelectionEvaluator::getCharge(Atom* atom) { |
426 |
+ |
double charge =0.0; |
427 |
+ |
AtomType* atomType = atom->getAtomType(); |
428 |
+ |
if (atomType->isCharge()) { |
429 |
+ |
GenericData* data = atomType->getPropertyByName("Charge"); |
430 |
+ |
if (data != NULL) { |
431 |
+ |
DoubleGenericData* doubleData= dynamic_cast<DoubleGenericData*>(data); |
432 |
+ |
|
433 |
+ |
if (doubleData != NULL) { |
434 |
+ |
charge = doubleData->getData(); |
435 |
+ |
|
436 |
+ |
} else { |
437 |
+ |
sprintf( painCave.errMsg, |
438 |
+ |
"Can not cast GenericData to DoubleGenericData\n"); |
439 |
+ |
painCave.severity = OOPSE_ERROR; |
440 |
+ |
painCave.isFatal = 1; |
441 |
+ |
simError(); |
442 |
+ |
} |
443 |
+ |
} |
444 |
+ |
} |
445 |
+ |
|
446 |
+ |
return charge; |
447 |
+ |
} |
448 |
+ |
|
449 |
+ |
} |