src/selection/SelectionEvaluator.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. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. 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.
 */

#include <stack>
#include "selection/SelectionEvaluator.hpp"
#include "primitives/Atom.hpp"
#include "primitives/DirectionalAtom.hpp"
#include "primitives/RigidBody.hpp"
#include "primitives/Molecule.hpp"

namespace oopse {


  SelectionEvaluator::SelectionEvaluator(SimInfo* si) 
    : info(si), nameFinder(info), distanceFinder(info), indexFinder(info), isLoaded_(false){
    
      nStuntDouble = info->getNGlobalAtoms() + info->getNRigidBodies();
    }            

  bool SelectionEvaluator::loadScript(const std::string& filename, const std::string& script) {
    clearDefinitionsAndLoadPredefined();
    this->filename = filename;
    this->script = script;
    if (! compiler.compile(filename, script)) {
      error = true;
      errorMessage = compiler.getErrorMessage();
      std::cerr << "SelectionCompiler Error: " << errorMessage << std::endl;
      return false;
    }

    pc = 0;
    aatoken = compiler.getAatokenCompiled();
    linenumbers = compiler.getLineNumbers();
    lineIndices = compiler.getLineIndices();

    std::vector<std::vector<Token> >::const_iterator i;   

    isDynamic_ = false;
    for (i = aatoken.begin(); i != aatoken.end(); ++i) {
      if (containDynamicToken(*i)) {
        isDynamic_ = true;
        break;
      }
    }

    isLoaded_ = true;
    return true;
  }

  void SelectionEvaluator::clearState() {
    error = false;
    errorMessage = "";
  }

  bool SelectionEvaluator::loadScriptString(const std::string& script) {
    clearState();
    return loadScript("", script);
  }

  bool SelectionEvaluator::loadScriptFile(const std::string& filename) {
    clearState();
    return loadScriptFileInternal(filename);
  }

  bool SelectionEvaluator::loadScriptFileInternal(const  std::string & filename) {
    std::ifstream ifs(filename.c_str());
    if (!ifs.is_open()) {
      return false;
    }

    const int bufferSize = 65535;
    char buffer[bufferSize];
    std::string script;
    while(ifs.getline(buffer, bufferSize)) {
      script += buffer;
    }
    return loadScript(filename, script);
  }

  void SelectionEvaluator::instructionDispatchLoop(BitSet& bs){
    
    while ( pc < aatoken.size()) {
      statement = aatoken[pc++];
      statementLength = statement.size();
      Token token = statement[0];
      switch (token.tok) {
      case Token::define:
        define();
        break;
      case Token::select:
        select(bs);
        break;
      default:
        unrecognizedCommand(token);
        return;
      }
    }

  }

  BitSet SelectionEvaluator::expression(const std::vector<Token>& code, int pcStart) {
    BitSet bs;
    std::stack<BitSet> stack;
    
    for (int pc = pcStart; pc < code.size(); ++pc) {
      Token instruction = code[pc];

      switch (instruction.tok) {
      case Token::expressionBegin:
        break;
      case Token::expressionEnd:
        break;
      case Token::all:
        bs = BitSet(nStuntDouble);
        bs.setAll();
        stack.push(bs);            
        break;
      case Token::none:
        bs = BitSet(nStuntDouble);
        stack.push(bs);            
        break;
      case Token::opOr:
        bs = stack.top();
        stack.pop();
        stack.top() |= bs;
        break;
      case Token::opAnd:
        bs = stack.top();
        stack.pop();
        stack.top() &= bs;
        break;
      case Token::opNot:
        stack.top().flip();
        break;
      case Token::within:

        withinInstruction(instruction, stack.top());
        break;
        //case Token::selected:
        //  stack.push(getSelectionSet());
        //  break;
      case Token::name:
        stack.push(nameInstruction(boost::any_cast<std::string>(instruction.value)));
        break;
      case Token::index:
        stack.push(indexInstruction(instruction.value));
        break;
      case Token::identifier:
        stack.push(lookupValue(boost::any_cast<std::string>(instruction.value)));
        break;
      case Token::opLT:
      case Token::opLE:
      case Token::opGE:
      case Token::opGT:
      case Token::opEQ:
      case Token::opNE:
        stack.push(comparatorInstruction(instruction));
        break;
      default:
        unrecognizedExpression();
      }
    }
    if (stack.size() != 1)
      evalError("atom expression compiler error - stack over/underflow");
          
    return stack.top();
  }


  BitSet SelectionEvaluator::comparatorInstruction(const Token& instruction) {
    int comparator = instruction.tok;
    int property = instruction.intValue;
    float comparisonValue = boost::any_cast<float>(instruction.value);
    float propertyValue;
    BitSet bs(nStuntDouble);
    bs.clearAll();
    
    SimInfo::MoleculeIterator mi;
    Molecule* mol;
    Molecule::AtomIterator ai;
    Atom* atom;
    Molecule::RigidBodyIterator rbIter;
    RigidBody* rb;
    
    for (mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) {

      for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
        compareProperty(atom, bs, property, comparator, comparisonValue);
      }
        
      for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) {
        compareProperty(rb, bs, property, comparator, comparisonValue);
      }        
    }

    return bs;
  }

  void SelectionEvaluator::compareProperty(StuntDouble* sd, BitSet& bs, int property, int comparator, float comparisonValue) {
    double propertyValue = 0.0;
    switch (property) {
    case Token::mass:
      propertyValue = sd->getMass();
      break;
    case Token::charge:
      if (sd->isAtom()){
        Atom* atom = static_cast<Atom*>(sd);
        propertyValue = getCharge(atom);
      } else if (sd->isRigidBody()) {
        RigidBody* rb = static_cast<RigidBody*>(sd);
        RigidBody::AtomIterator ai;
        Atom* atom;
        for (atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) {
          propertyValue+=  getCharge(atom);
        }
      }
      break;
    default:
      unrecognizedAtomProperty(property);
    }
        
    bool match = false;
    switch (comparator) {
    case Token::opLT:
      match = propertyValue < comparisonValue;
      break;
    case Token::opLE:
      match = propertyValue <= comparisonValue;
      break;
    case Token::opGE:
      match = propertyValue >= comparisonValue;
      break;
    case Token::opGT:
      match = propertyValue > comparisonValue;
      break;
    case Token::opEQ:
      match = propertyValue == comparisonValue;
      break;
    case Token::opNE:
      match = propertyValue != comparisonValue;
      break;
    }
    if (match)
      bs.setBitOn(sd->getGlobalIndex());

  }

  void SelectionEvaluator::withinInstruction(const Token& instruction, BitSet& bs){
    
    boost::any withinSpec = instruction.value;
    float distance;
    if (withinSpec.type() == typeid(float)){
      distance = boost::any_cast<float>(withinSpec);
    } else if (withinSpec.type() == typeid(int)) {
      distance = boost::any_cast<int>(withinSpec);    
    } else {
      evalError("casting error in withinInstruction");
      bs.clearAll();
    }
    
    bs = distanceFinder.find(bs, distance);            
  }

  void SelectionEvaluator::define() {
    assert(statement.size() >= 3);

    std::string variable = boost::any_cast<std::string>(statement[1].value);

    variables.insert(VariablesType::value_type(variable, expression(statement, 2)));
  }


  /** @todo */
  void SelectionEvaluator::predefine(const std::string& script) {

    if (compiler.compile("#predefine", script)) {
      std::vector<std::vector<Token> > aatoken = compiler.getAatokenCompiled();
      if (aatoken.size() != 1) {
        evalError("predefinition does not have exactly 1 command:"
                  + script);
        return;
      }
      std::vector<Token> statement = aatoken[0];
      if (statement.size() > 2) {
        int tok = statement[1].tok;
        if (tok == Token::identifier || (tok & Token::predefinedset) == Token::predefinedset) {
          std::string variable = boost::any_cast<std::string>(statement[1].value);
          variables.insert(VariablesType::value_type(variable, statement));

        } else {
          evalError("invalid variable name:" + script);
        }
      }else {
        evalError("bad predefinition length:" + script);
      }

        
    } else {
      evalError("predefined set compile error:" + script +
                "\ncompile error:" + compiler.getErrorMessage());
    }

  }

  void SelectionEvaluator::select(BitSet& bs){
    bs = expression(statement, 1);
  }

  BitSet SelectionEvaluator::lookupValue(const std::string& variable){

    BitSet bs(nStuntDouble);
    std::map<std::string, boost::any>::iterator i = variables.find(variable);
    
    if (i != variables.end()) {
      if (i->second.type() == typeid(BitSet)) {
        return boost::any_cast<BitSet>(i->second);
      } else if (i->second.type() ==  typeid(std::vector<Token>)){
        bs = expression(boost::any_cast<std::vector<Token> >(i->second), 2);
        i->second =  bs; /**@todo fixme */
        return bs;
      }
    } else {
      unrecognizedIdentifier(variable);
    }

    return bs;
  }

  BitSet SelectionEvaluator::nameInstruction(const std::string& name){
    
    return nameFinder.match(name);

  }    

  bool SelectionEvaluator::containDynamicToken(const std::vector<Token>& tokens){
    std::vector<Token>::const_iterator i;
    for (i = tokens.begin(); i != tokens.end(); ++i) {
      if (i->tok & Token::dynamic) {
        return true;
      }
    }

    return false;
  }    

  void SelectionEvaluator::clearDefinitionsAndLoadPredefined() {
    variables.clear();
    //load predefine
    //predefine();
  }

  BitSet SelectionEvaluator::evaluate() {
    BitSet bs(nStuntDouble);
    if (isLoaded_) {
      pc = 0;
      instructionDispatchLoop(bs);
    }

    return bs;
  }

  BitSet SelectionEvaluator::indexInstruction(const boost::any& value) {
    BitSet bs(nStuntDouble);

    if (value.type() == typeid(int)) {
      int index = boost::any_cast<int>(value);
      if (index < 0 || index >= bs.size()) {
        invalidIndex(index);
      } else {
        bs = indexFinder.find(index);
      }
    } else if (value.type() == typeid(std::pair<int, int>)) {
      std::pair<int, int> indexRange= boost::any_cast<std::pair<int, int> >(value);
      assert(indexRange.first <= indexRange.second);
      if (indexRange.first < 0 || indexRange.second >= bs.size()) {
        invalidIndexRange(indexRange);
      }else {
        bs = indexFinder.find(indexRange.first, indexRange.second);
      }
    }

    return bs;
  }


  double SelectionEvaluator::getCharge(Atom* atom) {
    double charge =0.0;
    AtomType* atomType = atom->getAtomType();
    if (atomType->isCharge()) {
      GenericData* data = atomType->getPropertyByName("Charge");
      if (data != NULL) {
        DoubleGenericData* doubleData= dynamic_cast<DoubleGenericData*>(data);

        if (doubleData != NULL) {
          charge = doubleData->getData();

        } else {
          sprintf( painCave.errMsg,
                   "Can not cast GenericData to DoubleGenericData\n");
          painCave.severity = OOPSE_ERROR;
          painCave.isFatal = 1;
          simError();          
        }
      } 
    }

    return charge;
  }

}
Revision:	507
Committed:	Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Original Path:	*trunk/src/selection/SelectionEvaluator.cpp*
File size:	13015 byte(s)
Log Message:	xemacs has been drafted to perform our indentation services
#	User	Rev	Content
1	tim	277	/*
2			* 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			* 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
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*/
41
42	tim	283	#include <stack>
43	tim	277	#include "selection/SelectionEvaluator.hpp"
44	tim	283	#include "primitives/Atom.hpp"
45			#include "primitives/DirectionalAtom.hpp"
46			#include "primitives/RigidBody.hpp"
47			#include "primitives/Molecule.hpp"
48
49	tim	277	namespace oopse {
50
51
52	gezelter	507	SelectionEvaluator::SelectionEvaluator(SimInfo* si)
53	tim	413	: info(si), nameFinder(info), distanceFinder(info), indexFinder(info), isLoaded_(false){
54
55	gezelter	507	nStuntDouble = info->getNGlobalAtoms() + info->getNRigidBodies();
56			}
57	tim	283
58	gezelter	507	bool SelectionEvaluator::loadScript(const std::string& filename, const std::string& script) {
59	tim	288	clearDefinitionsAndLoadPredefined();
60	tim	278	this->filename = filename;
61			this->script = script;
62			if (! compiler.compile(filename, script)) {
63	gezelter	507	error = true;
64			errorMessage = compiler.getErrorMessage();
65			std::cerr << "SelectionCompiler Error: " << errorMessage << std::endl;
66			return false;
67	tim	278	}
68
69			pc = 0;
70			aatoken = compiler.getAatokenCompiled();
71			linenumbers = compiler.getLineNumbers();
72			lineIndices = compiler.getLineIndices();
73	tim	288
74			std::vector<std::vector<Token> >::const_iterator i;
75
76			isDynamic_ = false;
77			for (i = aatoken.begin(); i != aatoken.end(); ++i) {
78	gezelter	507	if (containDynamicToken(*i)) {
79			isDynamic_ = true;
80			break;
81			}
82	tim	288	}
83
84			isLoaded_ = true;
85	tim	278	return true;
86	gezelter	507	}
87	tim	278
88	gezelter	507	void SelectionEvaluator::clearState() {
89	tim	278	error = false;
90	tim	281	errorMessage = "";
91	gezelter	507	}
92	tim	278
93	gezelter	507	bool SelectionEvaluator::loadScriptString(const std::string& script) {
94	tim	278	clearState();
95	tim	281	return loadScript("", script);
96	gezelter	507	}
97	tim	278
98	gezelter	507	bool SelectionEvaluator::loadScriptFile(const std::string& filename) {
99	tim	278	clearState();
100			return loadScriptFileInternal(filename);
101	gezelter	507	}
102	tim	278
103	gezelter	507	bool SelectionEvaluator::loadScriptFileInternal(const std::string & filename) {
104			std::ifstream ifs(filename.c_str());
105	tim	288	if (!ifs.is_open()) {
106	gezelter	507	return false;
107	tim	288	}
108
109			const int bufferSize = 65535;
110			char buffer[bufferSize];
111			std::string script;
112			while(ifs.getline(buffer, bufferSize)) {
113	gezelter	507	script += buffer;
114	tim	288	}
115			return loadScript(filename, script);
116	gezelter	507	}
117	tim	282
118	gezelter	507	void SelectionEvaluator::instructionDispatchLoop(BitSet& bs){
119	tim	288
120	tim	281	while ( pc < aatoken.size()) {
121	gezelter	507	statement = aatoken[pc++];
122			statementLength = statement.size();
123			Token token = statement[0];
124			switch (token.tok) {
125			case Token::define:
126			define();
127			break;
128			case Token::select:
129			select(bs);
130			break;
131			default:
132			unrecognizedCommand(token);
133			return;
134			}
135	tim	278	}
136	tim	288
137	gezelter	507	}
138	tim	278
139	tim	283	BitSet SelectionEvaluator::expression(const std::vector<Token>& code, int pcStart) {
140	tim	278	BitSet bs;
141	tim	283	std::stack<BitSet> stack;
142
143	tim	288	for (int pc = pcStart; pc < code.size(); ++pc) {
144	tim	278	Token instruction = code[pc];
145	tim	282
146	tim	278	switch (instruction.tok) {
147	tim	281	case Token::expressionBegin:
148	tim	278	break;
149	tim	281	case Token::expressionEnd:
150	tim	282	break;
151	tim	281	case Token::all:
152	tim	283	bs = BitSet(nStuntDouble);
153			bs.setAll();
154			stack.push(bs);
155	tim	278	break;
156	tim	281	case Token::none:
157	tim	283	bs = BitSet(nStuntDouble);
158			stack.push(bs);
159	tim	278	break;
160	tim	281	case Token::opOr:
161	tim	283	bs = stack.top();
162			stack.pop();
163			stack.top() \|= bs;
164	tim	278	break;
165	tim	281	case Token::opAnd:
166	tim	283	bs = stack.top();
167			stack.pop();
168			stack.top() &= bs;
169	tim	278	break;
170	tim	281	case Token::opNot:
171	tim	283	stack.top().flip();
172	tim	278	break;
173	tim	281	case Token::within:
174	tim	283
175			withinInstruction(instruction, stack.top());
176	tim	278	break;
177	gezelter	507	//case Token::selected:
178			// stack.push(getSelectionSet());
179			// break;
180	tim	281	case Token::name:
181	tim	283	stack.push(nameInstruction(boost::any_cast<std::string>(instruction.value)));
182	tim	278	break;
183	tim	295	case Token::index:
184			stack.push(indexInstruction(instruction.value));
185	tim	281	break;
186			case Token::identifier:
187	tim	283	stack.push(lookupValue(boost::any_cast<std::string>(instruction.value)));
188	tim	281	break;
189			case Token::opLT:
190			case Token::opLE:
191			case Token::opGE:
192			case Token::opGT:
193			case Token::opEQ:
194			case Token::opNE:
195	tim	283	stack.push(comparatorInstruction(instruction));
196	tim	278	break;
197			default:
198			unrecognizedExpression();
199			}
200			}
201	tim	283	if (stack.size() != 1)
202	tim	278	evalError("atom expression compiler error - stack over/underflow");
203	tim	283
204			return stack.top();
205	tim	278	}
206
207
208
209	gezelter	507	BitSet SelectionEvaluator::comparatorInstruction(const Token& instruction) {
210	tim	278	int comparator = instruction.tok;
211			int property = instruction.intValue;
212	tim	283	float comparisonValue = boost::any_cast<float>(instruction.value);
213			float propertyValue;
214			BitSet bs(nStuntDouble);
215	tim	295	bs.clearAll();
216	tim	283
217			SimInfo::MoleculeIterator mi;
218			Molecule* mol;
219			Molecule::AtomIterator ai;
220			Atom* atom;
221			Molecule::RigidBodyIterator rbIter;
222			RigidBody* rb;
223
224			for (mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) {
225	tim	281
226	gezelter	507	for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
227			compareProperty(atom, bs, property, comparator, comparisonValue);
228			}
229	tim	283
230	gezelter	507	for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) {
231			compareProperty(rb, bs, property, comparator, comparisonValue);
232			}
233	tim	278	}
234
235	tim	283	return bs;
236	gezelter	507	}
237	tim	278
238	gezelter	507	void SelectionEvaluator::compareProperty(StuntDouble* sd, BitSet& bs, int property, int comparator, float comparisonValue) {
239			double propertyValue = 0.0;
240			switch (property) {
241			case Token::mass:
242			propertyValue = sd->getMass();
243			break;
244			case Token::charge:
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			default:
258			unrecognizedAtomProperty(property);
259			}
260	tim	283
261	gezelter	507	bool match = false;
262			switch (comparator) {
263			case Token::opLT:
264			match = propertyValue < comparisonValue;
265			break;
266			case Token::opLE:
267			match = propertyValue <= comparisonValue;
268			break;
269			case Token::opGE:
270			match = propertyValue >= comparisonValue;
271			break;
272			case Token::opGT:
273			match = propertyValue > comparisonValue;
274			break;
275			case Token::opEQ:
276			match = propertyValue == comparisonValue;
277			break;
278			case Token::opNE:
279			match = propertyValue != comparisonValue;
280			break;
281			}
282			if (match)
283			bs.setBitOn(sd->getGlobalIndex());
284	tim	283
285	gezelter	507	}
286	tim	283
287	gezelter	507	void SelectionEvaluator::withinInstruction(const Token& instruction, BitSet& bs){
288	tim	295
289	tim	281	boost::any withinSpec = instruction.value;
290	tim	295	float distance;
291	tim	282	if (withinSpec.type() == typeid(float)){
292	gezelter	507	distance = boost::any_cast<float>(withinSpec);
293	tim	295	} else if (withinSpec.type() == typeid(int)) {
294	gezelter	507	distance = boost::any_cast<int>(withinSpec);
295	tim	295	} else {
296	gezelter	507	evalError("casting error in withinInstruction");
297			bs.clearAll();
298	tim	278	}
299	tim	282
300	tim	295	bs = distanceFinder.find(bs, distance);
301	gezelter	507	}
302	tim	278
303	gezelter	507	void SelectionEvaluator::define() {
304	tim	282	assert(statement.size() >= 3);
305
306			std::string variable = boost::any_cast<std::string>(statement[1].value);
307	tim	283
308	tim	351	variables.insert(VariablesType::value_type(variable, expression(statement, 2)));
309	gezelter	507	}
310	tim	278
311	tim	283
312	gezelter	507	/** @todo */
313			void SelectionEvaluator::predefine(const std::string& script) {
314	tim	278
315	tim	282	if (compiler.compile("#predefine", script)) {
316	gezelter	507	std::vector<std::vector<Token> > aatoken = compiler.getAatokenCompiled();
317			if (aatoken.size() != 1) {
318			evalError("predefinition does not have exactly 1 command:"
319			+ script);
320			return;
321			}
322			std::vector<Token> statement = aatoken[0];
323			if (statement.size() > 2) {
324			int tok = statement[1].tok;
325			if (tok == Token::identifier \|\| (tok & Token::predefinedset) == Token::predefinedset) {
326			std::string variable = boost::any_cast<std::string>(statement[1].value);
327			variables.insert(VariablesType::value_type(variable, statement));
328	tim	282
329	gezelter	507	} else {
330			evalError("invalid variable name:" + script);
331			}
332			}else {
333			evalError("bad predefinition length:" + script);
334			}
335	tim	282
336
337			} else {
338	gezelter	507	evalError("predefined set compile error:" + script +
339			"\ncompile error:" + compiler.getErrorMessage());
340	tim	282	}
341
342	gezelter	507	}
343	tim	282
344	gezelter	507	void SelectionEvaluator::select(BitSet& bs){
345	tim	288	bs = expression(statement, 1);
346	gezelter	507	}
347	tim	282
348	gezelter	507	BitSet SelectionEvaluator::lookupValue(const std::string& variable){
349	tim	282
350	tim	295	BitSet bs(nStuntDouble);
351	tim	282	std::map<std::string, boost::any>::iterator i = variables.find(variable);
352	tim	295
353	tim	282	if (i != variables.end()) {
354	gezelter	507	if (i->second.type() == typeid(BitSet)) {
355			return boost::any_cast<BitSet>(i->second);
356			} else if (i->second.type() == typeid(std::vector<Token>)){
357			bs = expression(boost::any_cast<std::vector<Token> >(i->second), 2);
358			i->second = bs; /*@todo fixme /
359			return bs;
360			}
361	tim	283	} else {
362	gezelter	507	unrecognizedIdentifier(variable);
363	tim	282	}
364	tim	295
365			return bs;
366	gezelter	507	}
367	tim	282
368	gezelter	507	BitSet SelectionEvaluator::nameInstruction(const std::string& name){
369	tim	283
370	tim	295	return nameFinder.match(name);
371	tim	288
372	gezelter	507	}
373	tim	283
374	gezelter	507	bool SelectionEvaluator::containDynamicToken(const std::vector<Token>& tokens){
375	tim	288	std::vector<Token>::const_iterator i;
376			for (i = tokens.begin(); i != tokens.end(); ++i) {
377	gezelter	507	if (i->tok & Token::dynamic) {
378			return true;
379			}
380	tim	288	}
381	tim	283
382	tim	288	return false;
383	gezelter	507	}
384	tim	288
385	gezelter	507	void SelectionEvaluator::clearDefinitionsAndLoadPredefined() {
386	tim	288	variables.clear();
387			//load predefine
388			//predefine();
389	gezelter	507	}
390	tim	288
391	gezelter	507	BitSet SelectionEvaluator::evaluate() {
392	tim	288	BitSet bs(nStuntDouble);
393			if (isLoaded_) {
394	gezelter	507	pc = 0;
395			instructionDispatchLoop(bs);
396	tim	288	}
397
398			return bs;
399	gezelter	507	}
400	tim	295
401	gezelter	507	BitSet SelectionEvaluator::indexInstruction(const boost::any& value) {
402	tim	295	BitSet bs(nStuntDouble);
403
404			if (value.type() == typeid(int)) {
405	gezelter	507	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	tim	295	} else if (value.type() == typeid(std::pair<int, int>)) {
412	gezelter	507	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	tim	295	}
420
421			return bs;
422	gezelter	507	}
423	tim	295
424	tim	432
425	gezelter	507	double SelectionEvaluator::getCharge(Atom* atom) {
426	tim	432	double charge =0.0;
427			AtomType* atomType = atom->getAtomType();
428			if (atomType->isCharge()) {
429	gezelter	507	GenericData* data = atomType->getPropertyByName("Charge");
430			if (data != NULL) {
431			DoubleGenericData* doubleData= dynamic_cast<DoubleGenericData*>(data);
432	tim	432
433	gezelter	507	if (doubleData != NULL) {
434			charge = doubleData->getData();
435	tim	432
436	gezelter	507	} 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	tim	432	}
445
446			return charge;
447	gezelter	507	}
448	tim	432
449			}