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/*! \file ConformerParser.h

  \brief Contains functionality to load conformers from a MD trajectory

*/
#ifndef __RD_ConformerParser_H__
#define __RD_ConformerParser_H__

#include <sstream>

namespace RDKit{
class ROMol;
class Conformer;
namespace ConformerParser {

/*!
  Adds the conformations read from a list of doubles

  \param mol          the molecule of interest
  \param coords       list with coordinates
  \param numConf      number of conformers to read (default: all)

  Returns: integer vector with confIds
*/
INT_VECT addConformersFromList(ROMol &mol, const std::vector<std::vector<double> > &coords,
                           int numConf=-1);

/*!
  Converts an Amber trajectory into a list of doubles

  \param inStream     input file
  \param coords       list with coordinates

*/
void readAmberTrajectory(const std::string &fName, std::vector<std::vector<double> > &coords,
                         unsigned int numAtoms);

} // end namespace ConformerParser
} // end namespace RDKit

#endif
