--- trunk/src/selection/NameFinder.cpp 2005/02/03 23:14:05 283 +++ trunk/src/selection/NameFinder.cpp 2005/04/05 23:09:48 452 @@ -39,45 +39,97 @@ * such damages. */ #include "selection/NameFinder.hpp" +#include "utils/wildcards.hpp" +#include "utils/StringTokenizer.hpp" +#include "primitives/Molecule.hpp" +#include "utils/StringUtils.hpp" namespace oopse { -NameFinder::NameFinder(SimInfo* info) { +TreeNode::~TreeNode(){ + std::map::iterator i; + for ( i = children.begin(); i != children.end(); ++i) { + i->second->~TreeNode(); + } + children.clear(); +} + + +NameFinder::NameFinder(SimInfo* info) : info_(info), root_(NULL){ + nStuntDouble_ = info_->getNGlobalAtoms() + info_->getNGlobalRigidBodies(); loadNames(); } +NameFinder::~NameFinder(){ + delete root_; +} void NameFinder::loadNames() { - root_ = new NameNode; - root_.type = rootNode; - - NameNode* newNode; + std::map::iterator foundIter; SimInfo::MoleculeIterator mi; Molecule* mol; Molecule::AtomIterator ai; Atom* atom; Molecule::RigidBodyIterator rbIter; RigidBody* rb; + + root_ = new TreeNode; + root_->bs.resize(nStuntDouble_); + root_->bs.setAll(); // + for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) { - newNode = new NameNode; - newNode.type = molNode; - newNode.name = mol->getMoleculeName(); + + std::string molName = mol->getMoleculeName(); + TreeNode* currentMolNode = createNode(root_, molName); for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { - atomNames_.insert(atom->getType()); + std::string atomName = atom->getType(); + TreeNode* currentAtomNode = createNode(currentMolNode, atomName); + + currentMolNode->bs.setBitOn(atom->getGlobalIndex()); + currentAtomNode->bs.setBitOn(atom->getGlobalIndex()); } - - //change the positions of atoms which belong to the rigidbodies + for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) { - rbNames_.insert(rb->getType()); - } + std::string rbName = rb->getType(); + TreeNode* currentRbNode = createNode(currentMolNode, rbName); + + currentMolNode->bs.setBitOn(rb->getGlobalIndex()); + currentRbNode->bs.setBitOn(rb->getGlobalIndex()); + + //create nodes for atoms belong to this rigidbody + for(atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) { + std::string rbAtomName = atom->getType(); + TreeNode* currentRbAtomNode = createNode(currentRbNode, rbName);; + + currentRbAtomNode->bs.setBitOn(atom->getGlobalIndex()); + } + + } + } + } -bool NameFinder::match(const std::string& name, BitSet& bs){ +TreeNode* NameFinder::createNode(TreeNode* parent, const std::string& name) { + TreeNode* node; + std::map::iterator foundIter; + foundIter = parent->children.find(name); + if ( foundIter == parent->children.end()) { + node = new TreeNode; + node->name = name; + node->bs.resize(nStuntDouble_); + parent->children.insert(std::make_pair(name, node)); + }else { + node = foundIter->second; + } + return node; +} - bool error = true; +BitSet NameFinder::match(const std::string& name){ + BitSet bs(nStuntDouble_); + StringTokenizer tokenizer(name, "."); std::vector names; @@ -88,23 +140,128 @@ bool NameFinder::match(const std::string& name, BitSet int size = names.size(); switch(size) { case 1 : - //could be molecule name, atom name, rigidbody name - isMolName(); - isAtomName(); - isRigidBodyName(); + //could be molecule name, atom name and rigidbody name + matchMolecule(names[0], bs); + matchStuntDouble("*", names[0], bs); + break; case 2: - //could be molecule.*(include atoms and rigidbodies) or rigidbody.* + //could be molecule.*(include atoms and rigidbodies) or rigidbody.*(atoms belong to rigidbody) + + if (!isInteger(names[1])){ + matchRigidAtoms("*", names[0], names[1], bs); + matchStuntDouble(names[0], names[1], bs); + } else { + int internalIndex = lexi_cast(names[1]); + if (internalIndex < 0) { + std::cerr << names[0] << ". " << names[1] << " is an invalid name" << std::endl; + } else { + matchInternalIndex(names[0], internalIndex, bs); + } + } + break; case 3: //must be molecule.rigidbody.* - + matchRigidAtoms(names[0], names[1], names[2], bs); break; - default: + default: + std::cerr << "invalid name: " << name << std::endl; break; } - return matched; + return bs; } +void NameFinder::matchMolecule(const std::string& molName, BitSet& bs) { + std::vector molNodes = getMatchedChildren(root_, molName); + std::vector::iterator i; + for( i = molNodes.begin(); i != molNodes.end(); ++i ) { + bs |= (*i)->bs; + } } + +void NameFinder::matchStuntDouble(const std::string& molName, const std::string& sdName, BitSet& bs){ + std::vector molNodes = getMatchedChildren(root_, molName); + std::vector::iterator i; + for( i = molNodes.begin(); i != molNodes.end(); ++i ) { + std::vector sdNodes = getMatchedChildren(*i, sdName); + std::vector::iterator j; + for (j = sdNodes.begin(); j != sdNodes.end(); ++j) { + bs |= (*j)->bs; + } + } + +} + +void NameFinder::matchRigidAtoms(const std::string& molName, const std::string& rbName, const std::string& rbAtomName, BitSet& bs){ + std::vector molNodes = getMatchedChildren(root_, molName); + std::vector::iterator i; + for( i = molNodes.begin(); i != molNodes.end(); ++i ) { + std::vector rbNodes = getMatchedChildren(*i, rbName); + std::vector::iterator j; + for (j = rbNodes.begin(); j != rbNodes.end(); ++j) { + std::vector rbAtomNodes = getMatchedChildren(*j, rbAtomName); + std::vector::iterator k; + for(k = rbAtomNodes.begin(); k != rbAtomNodes.end(); ++k){ + bs |= (*k)->bs; + } + } + } + +} + + +std::vector NameFinder::getMatchedChildren(TreeNode* node, const std::string& name) { + std::vector matchedNodes; + std::map::iterator i; + for (i = node->children.begin(); i != node->children.end(); ++i) { + if (isMatched( i->first, name)) { + matchedNodes.push_back(i->second); + } + } + + return matchedNodes; +} + +bool NameFinder::isMatched(const std::string& str, const std::string& wildcard) { + return Wildcard::wildcardfit (wildcard.c_str(), str.c_str()); +} + + +void NameFinder::matchInternalIndex(const std::string& name, int internalIndex, BitSet& bs){ + + std::map::iterator foundIter; + SimInfo::MoleculeIterator mi; + Molecule* mol; + + for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) { + + if (isMatched(mol->getMoleculeName(), name) ) { + int natoms = mol->getNAtoms(); + int nrigidbodies = mol->getNRigidBodies(); + if (internalIndex >= natoms + nrigidbodies) { + continue; + } else if (internalIndex < natoms) { + bs.setBitOn(mol->getAtomAt(internalIndex)->getGlobalIndex()); + continue; + } else if ( internalIndex < natoms + nrigidbodies) { + bs.setBitOn(mol->getRigidBodyAt(internalIndex - natoms)->getGlobalIndex()); + } + } + + } + +} + + bool NameFinder::isInteger(const std::string str) { + for(int i =0; i < str.size(); ++i){ + if (!std::isdigit(str[i])) { + return false; + } + } + + return true; + } + +}