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root/OpenMD/trunk/src/selection/SelectionEvaluator.cpp
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Comparing trunk/src/selection/SelectionEvaluator.cpp (file contents):
Revision 282 by tim, Thu Feb 3 14:04:59 2005 UTC vs.
Revision 283 by tim, Thu Feb 3 23:14:05 2005 UTC

# Line 39 | Line 39
39   * such damages.
40   */
41  
42 + #include <stack>
43   #include "selection/SelectionEvaluator.hpp"
44 + #include "primitives/Atom.hpp"
45 + #include "primitives/DirectionalAtom.hpp"
46 + #include "primitives/RigidBody.hpp"
47 + #include "primitives/Molecule.hpp"
48 +
49   namespace oopse {
50  
51  
52 + SelectionEvaluator::SelectionEvaluator(SimInfo* si, const std::string& script) : info(si), finder(info){
53 + }            
54 +
55   bool SelectionEvaluator::loadScript(const std::string& filename, const std::string& script) {
56      this->filename = filename;
57      this->script = script;
# Line 77 | Line 86 | bool SelectionEvaluator::loadScriptFile(const std::str
86      return loadScriptFileInternal(filename);
87   }
88  
89 < bool SelectionEvaluator::loadScriptFileInternal(const  string & filename) {
90 <
89 > bool SelectionEvaluator::loadScriptFileInternal(const  std::string & filename) {
90 >    return true; /**@todo */
91   }
92  
93   void SelectionEvaluator::instructionDispatchLoop(){
# Line 101 | Line 110 | void SelectionEvaluator::instructionDispatchLoop(){
110      }
111   }
112  
113 <  BitSet SelectionEvaluator::expression(std::vector<Token>& code, int pcStart) {
105 <    int numberOfAtoms = viewer.getAtomCount();
113 >  BitSet SelectionEvaluator::expression(const std::vector<Token>& code, int pcStart) {
114      BitSet bs;
115 <    BitSet[] stack = new BitSet[10];
116 <    int sp = 0;
109 <
115 >    std::stack<BitSet> stack;
116 >    
117      for (int pc = pcStart; ; ++pc) {
118        Token instruction = code[pc];
119  
# Line 116 | Line 123 | void SelectionEvaluator::instructionDispatchLoop(){
123        case Token::expressionEnd:
124          break;
125        case Token::all:
126 <        bs = stack[sp++] = new BitSet(numberOfAtoms);
127 <        for (int i = numberOfAtoms; --i >= 0; )
128 <          bs.set(i);
126 >        bs = BitSet(nStuntDouble);
127 >        bs.setAll();
128 >        stack.push(bs);            
129          break;
130        case Token::none:
131 <        stack[sp++] = new BitSet();
131 >        bs = BitSet(nStuntDouble);
132 >        stack.push(bs);            
133          break;
134        case Token::opOr:
135 <        bs = stack[--sp];
136 <        stack[sp-1].or(bs);
135 >        bs = stack.top();
136 >        stack.pop();
137 >        stack.top() |= bs;
138          break;
139        case Token::opAnd:
140 <        bs = stack[--sp];
141 <        stack[sp-1].and(bs);
140 >        bs = stack.top();
141 >        stack.pop();
142 >        stack.top() &= bs;
143          break;
144        case Token::opNot:
145 <        bs = stack[sp - 1];
136 <        notSet(bs);
145 >        stack.top().flip();
146          break;
147        case Token::within:
148 <        bs = stack[sp - 1];
149 <        stack[sp - 1] = new BitSet();
141 <        withinInstruction(instruction, bs, stack[sp - 1]);
148 >
149 >        withinInstruction(instruction, stack.top());
150          break;
151 <      case Token::selected:
152 <        stack[sp++] = copyBitSet(viewer.getSelectionSet());
153 <        break;
151 >      //case Token::selected:
152 >      //  stack.push(getSelectionSet());
153 >      //  break;
154        case Token::name:
155 <
155 >        stack.push(nameInstruction(boost::any_cast<std::string>(instruction.value)));
156          break;
149 –      case  Token::index:
150 –        
157          break;
152 –      case Token::molname:  
153 –
154 –        break;
155 –      case Token::molindex:
156 –        break;
158        case Token::identifier:
159 <        stack[sp++] = lookupIdentifierValue((std::string)instruction.value);
159 >        stack.push(lookupValue(boost::any_cast<std::string>(instruction.value)));
160          break;
161        case Token::opLT:
162        case Token::opLE:
# Line 163 | Line 164 | void SelectionEvaluator::instructionDispatchLoop(){
164        case Token::opGT:
165        case Token::opEQ:
166        case Token::opNE:
167 <        bs = stack[sp++] = new BitSet();
167 <        comparatorInstruction(instruction, bs);
167 >        stack.push(comparatorInstruction(instruction));
168          break;
169        default:
170          unrecognizedExpression();
171        }
172      }
173 <    if (sp != 1)
173 >    if (stack.size() != 1)
174        evalError("atom expression compiler error - stack over/underflow");
175 <    return stack[0];
175 >          
176 >    return stack.top();
177    }
178  
179  
180  
181 <  void SelectionEvaluator::comparatorInstruction(Token instruction, BitSet bs) {
181 > BitSet SelectionEvaluator::comparatorInstruction(const Token& instruction) {
182      int comparator = instruction.tok;
183      int property = instruction.intValue;
184 <    float propertyValue = 0; // just for temperature
185 <    int comparisonValue = ((Integer)instruction.value).intValue();
186 <    int numberOfAtoms = viewer.getAtomCount();
187 <    Frame frame = viewer.getFrame();
188 <    for (int i = 0; i < numberOfAtoms; ++i) {
189 <      Atom atom = frame.getAtomAt(i);
190 <      switch (property) {
191 <      case Token::mass:
192 <        //propertyValue = atom.getAtomNumber();
193 <        break;
194 <      case Token::charge:
184 >    float comparisonValue = boost::any_cast<float>(instruction.value);
185 >    float propertyValue;
186 >    BitSet bs(nStuntDouble);
187 >    
188 >    SimInfo::MoleculeIterator mi;
189 >    Molecule* mol;
190 >    Molecule::AtomIterator ai;
191 >    Atom* atom;
192 >    Molecule::RigidBodyIterator rbIter;
193 >    RigidBody* rb;
194 >    
195 >    for (mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) {
196  
197 <        break;
198 <      case Token::dipole:
197 >        for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
198 >            compareProperty(atom, bs, property, comparator, comparisonValue);
199 >        }
200 >        
201 >        //change the positions of atoms which belong to the rigidbodies
202 >        for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) {
203 >            compareProperty(rb, bs, property, comparator, comparisonValue);
204 >        }        
205 >    }
206  
207 <        break;
208 <      default:
200 <        unrecognizedAtomProperty(property);
201 <      }
202 <      bool match = false;
203 <      switch (comparator) {
204 <      case Token::opLT:
205 <        match = propertyValue < comparisonValue;
206 <        break;
207 <      case Token::opLE:
208 <        match = propertyValue <= comparisonValue;
209 <        break;
210 <      case Token::opGE:
211 <        match = propertyValue >= comparisonValue;
212 <        break;
213 <      case Token::opGT:
214 <        match = propertyValue > comparisonValue;
215 <        break;
216 <      case Token::opEQ:
217 <        match = propertyValue == comparisonValue;
218 <        break;
219 <      case Token::opNE:
220 <        match = propertyValue != comparisonValue;
221 <        break;
222 <      }
223 <      if (match)
224 <        bs.set(i);
225 <    }
226 <  }
207 >    return bs;
208 > }
209  
210 < void SelectionEvaluator::withinInstruction(const Token& instruction, BitSet& bs, BitSet& bsResult)
210 > void SelectionEvaluator::compareProperty(StuntDouble* sd, BitSet& bs, int property, int comparator, float comparisonValue) {
211 >        double propertyValue;
212 >        switch (property) {
213 >        case Token::mass:
214 >            propertyValue = sd->getMass();
215 >            break;
216 >        case Token::charge:
217 >            return;
218 >            //break;
219 >        case Token::dipole:
220 >            return;
221 >            //break;
222 >        default:
223 >            unrecognizedAtomProperty(property);
224 >        }
225 >        
226 >        bool match = false;
227 >        switch (comparator) {
228 >            case Token::opLT:
229 >                match = propertyValue < comparisonValue;
230 >                break;
231 >            case Token::opLE:
232 >                match = propertyValue <= comparisonValue;
233 >                break;
234 >            case Token::opGE:
235 >                match = propertyValue >= comparisonValue;
236 >                break;
237 >            case Token::opGT:
238 >                match = propertyValue > comparisonValue;
239 >                break;
240 >            case Token::opEQ:
241 >                match = propertyValue == comparisonValue;
242 >                break;
243 >            case Token::opNE:
244 >                match = propertyValue != comparisonValue;
245 >                break;
246 >        }
247 >        if (match)
248 >            bs.setBitOn(sd->getGlobalIndex());
249  
250 + }
251 +
252 + void SelectionEvaluator::withinInstruction(const Token& instruction, BitSet& bs){
253 +
254      boost::any withinSpec = instruction.value;
255      if (withinSpec.type() == typeid(float)){
256 <        withinDistance(boost::any_cast<float>(withinSpec), bs, bsResult);
256 >        //
257          return;
258      }
259      
260 <    evalError("Unrecognized within parameter:" + withinSpec);
260 >    evalError("Unrecognized within parameter");
261   }
262  
263 <  void SelectionEvaluator::withinDistance(float distance, const BitSet& bs, const BitSet& bsResult) {
240 <    Frame frame = viewer.getFrame();
241 <    for (int i = frame.getAtomCount(); --i >= 0; ) {
242 <      if (bs.get(i)) {
243 <        Atom atom = frame.getAtomAt(i);
244 <        AtomIterator iterWithin =
245 <          frame.getWithinIterator(atom, distance);
246 <        while (iterWithin.hasNext())
247 <          bsResult.set(iterWithin.next().getAtomIndex());
248 <      }
249 <    }
250 <  }
251 <
252 <  void SelectionEvaluator::define() {
263 > void SelectionEvaluator::define() {
264      assert(statement.size() >= 3);
265  
266      std::string variable = boost::any_cast<std::string>(statement[1].value);
267 <    
267 >
268      variables.insert(std::make_pair(variable, expression(statement, 2)));
258 –  }
269   }
270  
271 +
272   /** @todo */
273   void SelectionEvaluator::predefine(const std::string& script) {
274  
# Line 272 | Line 283 | void SelectionEvaluator::predefine(const std::string&
283          if (statement.size() > 2) {
284              int tok = statement[1].tok;
285              if (tok == Token::identifier || (tok & Token::predefinedset) == Token::predefinedset) {
286 <                std::string variable = (std::string)statement[1].value;
286 >                std::string variable = boost::any_cast<std::string>(statement[1].value);
287                  variables.insert(std::make_pair(variable, statement));
288  
289              } else {
# Line 291 | Line 302 | void SelectionEvaluator::select(){
302   }
303  
304   void SelectionEvaluator::select(){
305 <    viewer.setSelectionSet(expression(statement, 1));
305 >    //viewer.setSelectionSet(expression(statement, 1));
306   }
307  
308   BitSet SelectionEvaluator::lookupValue(const std::string& variable){
# Line 302 | Line 313 | BitSet SelectionEvaluator::lookupValue(const std::stri
313          if (i->second.type() == typeid(BitSet)) {
314              return boost::any_cast<BitSet>(i->second);
315          } else if (i->second.type() ==  typeid(std::vector<Token>)){
316 <            BitSet bs = expression(boost::any_cast(i->second), 2);
316 >            BitSet bs = expression(boost::any_cast<std::vector<Token> >(i->second), 2);
317              i->second =  bs; /**@todo fixme */
318              return bs;
319          }
320 +    } else {
321 +        unrecognizedIdentifier(variable);
322      }
310 –
323   }
324  
325 + BitSet SelectionEvaluator::nameInstruction(const std::string& name){
326 +    BitSet bs(nStuntDouble);
327 +    
328 +    bool hasError = finder.match(name, bs);
329 +    
330 +    return bs;    
331 + }    
332 +
333 +
334   }

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