Searched refs:m_numConformers (Results 1 – 2 of 2) sorted by relevance
291 void SetNumConformers(int numConformers) { m_numConformers = numConformers; } in SetNumConformers()438 …unsigned int m_numConformers; //!< The desired number of conformers. This is also the population s… variable
301 m_numConformers = 30; in OBConformerSearch()337 m_numConformers = numConformers; in Setup()406 while (m_rotorKeys.size() < m_numConformers && tries < numConformers * 1000) { in Setup()545 while (conformer_scores.size() > m_numConformers) { in MakeSelection()