--- trunk/src/utils/LocalIndexManager.hpp 2013/11/25 13:27:38 1952 +++ trunk/src/utils/LocalIndexManager.hpp 2013/12/05 18:19:26 1953 @@ -65,17 +65,14 @@ namespace OpenMD { class IndexListContainer{ public: static const int MAX_INTEGER = 2147483647; - typedef std::list >::iterator IndexListContainerIterator; + typedef std::list >::iterator IndexListContainerIterator; - IndexListContainer(int minIndex = 0, int maxIndex = MAX_INTEGER) :minIndex_(minIndex), maxIndex_(maxIndex) { - - indexContainer_.push_back(std::make_pair(minIndex, maxIndex)); - } + indexContainer_.push_back(std::make_pair(minIndex, maxIndex)); + } - int pop() { - + int pop() { if (indexContainer_.empty()) { std::cerr << "" << std::endl; } @@ -86,12 +83,13 @@ namespace OpenMD { if (indexContainer_.front().first == indexContainer_.front().second) { indexContainer_.pop_front(); - } else if (indexContainer_.front().first < indexContainer_.front().second) { + } else if (indexContainer_.front().first < + indexContainer_.front().second) { ++indexContainer_.front().first; } else { std::cerr << "" << std::endl; } - + return result; } @@ -100,7 +98,7 @@ namespace OpenMD { * */ void insert(int index) { - IndexListContainerIterator insertPos = internalInsert(index, index); + IndexListContainerIterator insertPos = internalInsert(index, index); merge(insertPos); } @@ -110,7 +108,8 @@ namespace OpenMD { * @param endIndex */ void insert(int beginIndex, int endIndex) { - IndexListContainerIterator insertPos = internalInsert(beginIndex, endIndex); + IndexListContainerIterator insertPos = internalInsert(beginIndex, + endIndex); merge(insertPos); } @@ -161,20 +160,15 @@ namespace OpenMD { indexContainer_.erase(indexContainer_.begin(), i); break; } else { - for (int j = (*i).first; j < index; ++j) { result.push_back(j); - } - + } (*i).first = index; indexContainer_.erase(indexContainer_.begin(), i); break; } - } - return result; - } int getMaxIndex() { @@ -308,12 +302,96 @@ namespace OpenMD { void releaseCutoffGroupIndex(std::vector indices) { cutoffGroupIndexContainer_.insert(indices); } - + + int getNextBondIndex() { + return bondIndexContainer_.pop(); + } + + std::vector getBondIndicesBefore(int index) { + return bondIndexContainer_.getIndicesBefore(index); + } + + void releaseBondIndex(int index) { + bondIndexContainer_.insert(index); + } + + void releaseBondIndex(int beginIndex, int endIndex) { + bondIndexContainer_.insert(beginIndex, endIndex); + } + + void releaseBondIndex(std::vector indices) { + bondIndexContainer_.insert(indices); + } + + int getNextBendIndex() { + return bendIndexContainer_.pop(); + } + + std::vector getBendIndicesBefore(int index) { + return bendIndexContainer_.getIndicesBefore(index); + } + + void releaseBendIndex(int index) { + bendIndexContainer_.insert(index); + } + + void releaseBendIndex(int beginIndex, int endIndex) { + bendIndexContainer_.insert(beginIndex, endIndex); + } + + void releaseBendIndex(std::vector indices) { + bendIndexContainer_.insert(indices); + } + + int getNextTorsionIndex() { + return torsionIndexContainer_.pop(); + } + + std::vector getTorsionIndicesBefore(int index) { + return torsionIndexContainer_.getIndicesBefore(index); + } + + void releaseTorsionIndex(int index) { + torsionIndexContainer_.insert(index); + } + + void releaseTorsionIndex(int beginIndex, int endIndex) { + torsionIndexContainer_.insert(beginIndex, endIndex); + } + + void releaseTorsionIndex(std::vector indices) { + torsionIndexContainer_.insert(indices); + } + + int getNextInversionIndex() { + return inversionIndexContainer_.pop(); + } + + std::vector getInversionIndicesBefore(int index) { + return inversionIndexContainer_.getIndicesBefore(index); + } + + void releaseInversionIndex(int index) { + inversionIndexContainer_.insert(index); + } + + void releaseInversionIndex(int beginIndex, int endIndex) { + inversionIndexContainer_.insert(beginIndex, endIndex); + } + + void releaseInversionIndex(std::vector indices) { + inversionIndexContainer_.insert(indices); + } + private: IndexListContainer atomIndexContainer_; IndexListContainer rigidBodyIndexContainer_; IndexListContainer cutoffGroupIndexContainer_; + IndexListContainer bondIndexContainer_; + IndexListContainer bendIndexContainer_; + IndexListContainer torsionIndexContainer_; + IndexListContainer inversionIndexContainer_; }; } //end namespace OpenMD