27 #ifdef USE_CHUNKS_AND_TASKS
30 #include "chunks_and_tasks.h"
32 class MoleculeChunk :
public cht::Chunk {
35 void writeToBuffer (
char * dataBuffer,
36 size_t const bufferSize )
const;
37 size_t getSize()
const;
38 void assignFromBuffer (
char const * dataBuffer,
39 size_t const bufferSize);
40 size_t memoryUsage()
const;
41 void getChildChunks(std::list<cht::ChunkID> & childChunkIDs)
const;
44 MoleculeChunk(
Molecule & m_) : m(m_) { }
46 CHT_CHUNK_TYPE_DECLARATION;
Representation of a molecule as a set of nuclei and total charge.
Definition: molecule.h:76