/* * fragmentation_helpers.hpp * * Created on: Oct 18, 2011 * Author: heber */ #ifndef FRAGMENTATION_FRAGMENTATION_HELPERS_HPP_ #define FRAGMENTATION_FRAGMENTATION_HELPERS_HPP_ #ifdef HAVE_CONFIG_H #include #endif #include #include #include "types.hpp" typedef std::deque KeyStack; class AtomMask_t; class Graph; class KeySet; class molecule; void PrintAtomMask(const AtomMask_t &AtomMask, int AtomCount); int CombineAllOrderListIntoOne(Graph &FragmentList, std::vector *&FragmentLowerOrdersList, KeyStack &RootStack, molecule *mol); void FreeAllOrdersList(std::vector *&FragmentLowerOrdersList, KeyStack &RootStack, molecule *mol); const std::vector getGlobalIdsFromLocalIds(const molecule &mol, const std::vector &atomids); #endif /* FRAGMENTATION_FRAGMENTATION_HELPERS_HPP_ */