OESimpleAppOptions

class OESimpleAppOptions : public OESystem::OEOptions

The OESimpleAppOptions represents a simple options class, representing a simple applications interface with an input reader file and an output writer file.

See also

• OEOptions class

Code Examples

• Generating Conformers example

• Generating Densely Sampled Conformers example

• Generating Stereoisomers example

• Generating Torsion Driven Conformation Examples example

• Fragment Library Generation Examples example

• Macrocycle Examples example

The OESimpleAppOptions class defines the following public methods:

• GetInFile and SetInFile

• GetOutFile and SetOutFile

Constructors

OESimpleAppOptions(opts: OEOptions, name: str, inFileType: int,
                   outFileType: int) -> OESimpleAppOptions
OESimpleAppOptions(opts: OEOptions, name: str, inFileExt: str,
                   outFileType: int) -> OESimpleAppOptions
OESimpleAppOptions(opts: OEOptions, name: str, inFileType: int,
                   outFileExt: str) -> OESimpleAppOptions
OESimpleAppOptions(opts: OEOptions, name: str, inFileExt: str,
                   outFileExt: str) -> OESimpleAppOptions
OESimpleAppOptions(name: str, inFileType: int, outFileType: int) -> OESimpleAppOptions
OESimpleAppOptions(name: str, inFileExt: str, outFileType: int) -> OESimpleAppOptions
OESimpleAppOptions(name: str, inFileType: int, outFileExt: str) -> OESimpleAppOptions
OESimpleAppOptions(name: str, inFileExt: str, outFileExt: str) -> OESimpleAppOptions
OESimpleAppOptions(opts: OEOptions, name: str, inFileType: int) -> OESimpleAppOptions
OESimpleAppOptions(opts: OEOptions, name: str, inFileExt: str) -> OESimpleAppOptions
OESimpleAppOptions(arg2: OESimpleAppOptions) -> OESimpleAppOptions

Default and copy constructors.

The opts represents the sub-options that should be wrapped to extend this options to generate the API for the intended application, where applicable, and the name represents the name of the application. The inFileType and outFileType refers to the input and output file types. The file types can be specified using constants as defined in the OEFileStringType namespace, or using a string value. Variation of constructors that does not require an output file can be used when an output is not desired in an application.

GetInFile

GetInFile() -> str

See SetInFile method.

GetOutFile

GetOutFile() -> str

See SetOutFile method.

SetInFile

SetInFile(value: str) -> bool

Sets name of the input file for the application. Default: None

SetOutFile

SetOutFile(value: str) -> bool

Sets name of the output file for the application. Default: None