schrodinger.application.jaguar.keywordDB module

class schrodinger.application.jaguar.keywordDB.Keyword(name, type, default, description=None, comment=None, index=0, boolean=None, qsite_allowed=None)

Bases: object

A class to hold keyword info.

__init__(name, type, default, description=None, comment=None, index=0, boolean=None, qsite_allowed=None)

Initialize self. See help(type(self)) for accurate signature.

get_macro()

Return C-style macro string from Keyword attributes

class schrodinger.application.jaguar.keywordDB.Setting(name, code, value, description=None, comment=None)

Bases: object

A class to hold keyword setting info.

__init__(name, code, value, description=None, comment=None)

Initialize self. See help(type(self)) for accurate signature.

get_macro()

Return C-style macro string from Setting attributes

class schrodinger.application.jaguar.keywordDB.DTDTreeBuilder

Bases: xml.etree.ElementTree.TreeBuilder

We create this subclass and redefine doctype() to avoid:

“DeprecationWarning: This method of XMLParser is deprecated.

Define doctype() method on the TreeBuilder target”

doctype(name, pubid, system)

__init__

Initialize self. See help(type(self)) for accurate signature.

close()

data()

end()

start()

schrodinger.application.jaguar.keywordDB.load_keywords(filename)

Load keywords from an XML file in jaguar_keywords.dtd format. Return a list and dictionary of Keyword objects. Keyword names and values are stored in lowercase.