Package schrodinger :: Package application :: Package phase :: Module hypothesis :: Class Hypothesis

Class Hypothesis

object --+
         |
        Hypothesis

Instance Methods

[hide private]

__init__(self, hypo, zip_hyp_file=None, lig_st=None)
Initialize the Hypothesis instance from a given hypothesis path or zip file path.

_readFromZipFile(self, zip_hyp_file)

_getTitle(self)

_setTitle(self, title)

_getId(self)

_setId(self, id)

write(self, hypo)
Export the hypothesis to the given path.

_readFromPath(self, hypo)
Read the hypothesis from the given path.

_readMaskFile(self, fh)

_readXYZFile(self, fh)

_readDXYZFile(self, hypo)
NOT USED for r2011

_writeXYZFile(self, xyz_file)
Write the <hypo>.xyz file.

_writeDXYZFile(self, hypo)
NOT USED for r2011 This will create the <hypo>.dxyz file

_writeMaskFile(self, mask_file)
This will write the <hypo>.mask file.

_writeDefFile(self, def_file)

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

Class Variables

[hide private]

title = property(_getTitle, _setTitle)

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, hypo, zip_hyp_file=None, lig_st=None)
(Constructor)

Initialize the Hypothesis instance from a given hypothesis path or zip file path. Either hypo or zip_hyp_file must be specified. If the zip file is specified, lig_st must also be specified.

Overrides: object.__init__

Class Hypothesis

__init__(self, hypo, zip_hyp_file=None, lig_st=None) (Constructor)

init(self, hypo, zip_hyp_file=None, lig_st=None)
(Constructor)