Data structure for bond representation in the MOL format.
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#include <mol_fmt.h>
Data structure for bond representation in the MOL format.
- Parameters
-
atnum1 | First atom number. |
atnum2 | Second atom number. |
bond_type | Type of bond (single, double, triple, etc.). |
bond_stereo | Stereo information for the bond. |
bond_topology | Topology information for the bond. |
react_center_status | Reaction center status information. |
◆ atnum1
short A_MOL_FMT_BOND::atnum1 |
◆ atnum2
short A_MOL_FMT_BOND::atnum2 |
◆ bond_stereo
char A_MOL_FMT_BOND::bond_stereo |
◆ bond_type
char A_MOL_FMT_BOND::bond_type |
The documentation for this struct was generated from the following file: