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34 lines
1.3 KiB
C++
34 lines
1.3 KiB
C++
//
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// Copyright (C) 2024 Schrödinger, LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <string>
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namespace RDKit {
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namespace FileParsers {
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namespace schrodinger {
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static const std::string MAE_ATOM_TYPE = "i_m_mmod_type";
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static const std::string MAE_BOND_DATIVE_MARK = "b_sPrivate_dative_bond";
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static const std::string MAE_BOND_PARITY = "i_sd_original_parity";
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static const std::string MAE_ENHANCED_STEREO_STATUS =
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"i_m_ct_enhanced_stereo_status";
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static const std::string MAE_RGROUP_LABEL = "i_sd__MolFileRLabel";
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static const std::string MAE_STEREO_STATUS = "i_m_ct_stereo_status";
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static const std::string PDB_ATOM_NAME = "s_m_pdb_atom_name";
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static const std::string PDB_CHAIN_NAME = "s_m_chain_name";
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static const std::string PDB_INSERTION_CODE = "s_m_insertion_code";
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static const std::string PDB_OCCUPANCY = "r_m_pdb_occupancy";
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static const std::string PDB_RESIDUE_NAME = "s_m_pdb_residue_name";
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static const std::string PDB_RESIDUE_NUMBER = "i_m_residue_number";
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static const std::string PDB_TFACTOR = "r_m_pdb_tfactor";
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} // namespace schrodinger
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} // namespace FileParsers
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} // namespace RDKit
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