Chemical Data Processing Library Python API - Version 1.1.1
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Flags controlling feature generation. More...
Static Public Attributes | |
int | PI_NI_ON_CHARGED_GROUPS_ONLY = 1 |
If set, ionic features are only generated for explicitely charged atoms/groups. | |
int | STATIC_H_DONORS = 2 |
If set, the HBD feature representation will always be a defined vector from the hydrogen donor heavy atom to the hydrogen atom. | |
int | DEFAULT_CONFIG = 0 |
Default configuration. | |
Flags controlling feature generation.