Package schrodinger :: Package application :: Module moldescriptors :: Class MolecularDescriptorsOptions

Class MolecularDescriptorsOptions

object --+
         |
        MolecularDescriptorsOptions

A class to provide various options that can be passed to calculate molecular descriptors.

Instance Methods

[hide private]

__init__(self, TOPO=False, MOPAC=False, METHOD='RM1', NOGEOPT=False, QIKPROP=False, SLOW=False, OMAE='', OCSV='', IN='', LIST=False, REPLACECOMMA=None, SKIPFAILED=None)
x.__init__(...) initializes x; see help(type(x)) for signature

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, TOPO=False, MOPAC=False, METHOD=`'RM1'`, NOGEOPT=False, QIKPROP=False, SLOW=False, OMAE=`''`, OCSV=`''`, IN=`''`, LIST=False, REPLACECOMMA=None, SKIPFAILED=None)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

Class MolecularDescriptorsOptions

__init__(self, TOPO=False, MOPAC=False, METHOD='RM1', NOGEOPT=False, QIKPROP=False, SLOW=False, OMAE='', OCSV='', IN='', LIST=False, REPLACECOMMA=None, SKIPFAILED=None) (Constructor)

init(self, TOPO=False, MOPAC=False, METHOD=`'RM1'`, NOGEOPT=False, QIKPROP=False, SLOW=False, OMAE=`''`, OCSV=`''`, IN=`''`, LIST=False, REPLACECOMMA=None, SKIPFAILED=None)
(Constructor)