OEPrepareDepictionSetupΒΆ

This namespace encodes symbolic constants used as bit-masks to indicate which parameters are being created when invoking the OEConfigurePrepareDepictionOptions function.

All

The combination of following constants:

ClearCoords

Passing this constant to the OEConfigurePrepareDepictionOptions result in generating the following default interface to configure whether the 2D coordinates of the molecule have to cleared and re-generated prior to molecule depiction.

Contents of parameter -clearcoords
    Aliases : -clear
    Type : bool
    Allow list : false
    Default : false
    Simple : true
    Required : false
    Brief : Clears and regenerates 2D coordinates of depicted molecule

DepictOrientation

Passing this constant to the OEConfigurePrepareDepictionOptions result in generating the following default interface to configure the preferred orientation of the 2D coordinates of the molecules.

Contents of parameter -orientation
    Aliases : -orient
    Type : string
    Allow list : false
    Default : Original
    Simple : true
    Required : false
    Legal values : Original Square Vertical Horizontal
    Brief : Set the preferred orientation of 2D coordinates
    Detail
        Original     - no-op
        Square       - orient the molecule for square images
        Vertical     - orient the molecule vertically
        Horizontal   - orient the molecule horizontally

SuppressHydrogens

Passing this constant to the OEConfigurePrepareDepictionOptions result in generating the following default interface to configure whether the hydrogens have to be suppressed prior to molecule depiction.

Contents of parameter -suppressH
    Aliases : -sh
    Type : bool
    Allow list : false
    Default : false
    Simple : true
    Required : false
    Brief :  Suppress explicit hydrogens of depicted molecule
    Detail
        Explicit hydrogens that are necessary to represent tetrahedral stereochemistry are kept