Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Class TermTable

Class TermTable

object --+
         |
        TermTable

Instance Methods

[hide private]

__init__(self, _ptr)
Construct from TermTablePtr.

__eq__(self, x)

__ne__(self, x)

__hash__(self)
hash(x)

remove(self)
Remove this table from its parent system

coalesce(self)
Reassign param for each Term in this Table to a member of the distinct set of Params used by those Terms.

props(self)
Table properties

name(self, newname)

__repr__(self)
repr(x)

params(self, p)

system(self)
The System whose atoms are referenced by this table.

term_props(self)
names of the custom properties

natoms(self)
number of atoms in each term

category(self, val)

nterms(self)
number of terms

delTermsWithAtom(self, atom)
remove all terms whose atoms list contains the given Atom

findWithAll(self, atoms)
return the terms that contain all the given atoms in any order

findWithAny(self, atoms)
return the terms that contain at least one of the given atoms

findWithOnly(self, atoms)
return the terms that contain only the given atoms

findExact(self, atoms)
return the terms that contain precisely the given atoms in the given order.

terms(self)
returns a list of all the Terms in the table

term(self, id)
returns the Term in the table with the given id

hasTerm(self, id)
Does a Term with the given id exist in the table?

addTermProp(self, name, type)
add a custom Term property of the given type

delTermProp(self, name)
remove the custom Term property

termPropType(self, name)
type of the given Term property

addTerm(self, atoms, param=None)
Add a Term to the table, with given initial param.

override_params(self)
parameter table containing override values

noverrides(self)
number of parameter overrides

overrides(self)
return a mapping from pairs of Params in self.params to a Param in self.override_params.

setOverride(self, pi, pj, op)
override the interaction between params pi and pj with the interaction given by op.

getOverride(self, pi, pj)
get override for given pair of params, or None if not present.

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, _ptr)
(Constructor)

Construct from TermTablePtr. Do not invoke directly; use System.addTable or System.table instead

Overrides: object.__init__

hash(self)
(Hashing function)

hash(x)

Overrides: object.__hash__: (inherited documentation)

props(self)

Table properties

Decorators:

@property

name(self, newname)

Decorators:

@name.setter

repr(self)
(Representation operator)

repr(x)

Overrides: object.__repr__: (inherited documentation)

params(self, p)

Decorators:

@params.setter

system(self)

The System whose atoms are referenced by this table.

Decorators:

@property

term_props(self)

names of the custom properties

Decorators:

@property

natoms(self)

number of atoms in each term

Decorators:

@property

category(self, val)

Decorators:

@category.setter

nterms(self)

number of terms

Decorators:

@property

terms(self)

returns a list of all the Terms in the table

Decorators:

@property

addTerm(self, atoms, param=None)

Add a Term to the table, with given initial param. The atoms list must have natoms elements, and each Atom must belong to the same System as the TermTable. If param is not None, it must belong to the ParamTable held by the TermTable.

override_params(self)

parameter table containing override values

Decorators:

@property

noverrides(self)

number of parameter overrides

Decorators:

@property

setOverride(self, pi, pj, op)

override the interaction between params pi and pj with the interaction given by op. pi and pj must be Params from self.params; op must be a param from self.override_params, or None to remove the override.

Class TermTable

__init__(self, _ptr) (Constructor)

__hash__(self) (Hashing function)

props(self)

name(self, newname)

__repr__(self) (Representation operator)

params(self, p)

system(self)

term_props(self)

natoms(self)

category(self, val)

nterms(self)

terms(self)

addTerm(self, atoms, param=None)

override_params(self)

noverrides(self)

setOverride(self, pi, pj, op)

init(self, _ptr)
(Constructor)

hash(self)
(Hashing function)

repr(self)
(Representation operator)