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

object --+    
         |    
    Handle --+
             |
            Ct

Represents a list of Chains in a System

The Ct class exists mainly to provide a separate namespace for chains. If you merge two systems each of which has a chain A, you probably want the chains to remain separate. Cts accomplish this.

The Ct class also provides a key-value namespace for assigning arbitrary properties to Systems.

Instance Methods [hide private]
 
data(self)
 
remove(self)
remove this Ct from the System
 
addChain(self)
append a new Chain to this Ct and return it
 
append(self, system)
Appends atoms and forcefield from system to self.
 
keys(self)
available Ct properties
 
__setitem__(self, key, val)
set ct property key to val
 
__getitem__(self, key)
get ct property key
 
__delitem__(self, key)
remove property key
 
get(self, key, d=None)
get ct property key, else d, which defaults to None

Inherited from Handle: __eq__, __hash__, __init__, __ne__

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

Properties [hide private]
  chains
list of Chains in this Ct
  nchains
number of Chains in this Ct
  natoms
number of Atoms in the Ct
  atoms
list of Atoms in this Ct
  bonds
list of Bonds in this Ct
  name
Name of Ct

Inherited from Handle: id, system

Inherited from Handle (private): _id, _ptr

Inherited from object: __class__

Method Details [hide private]

append(self, system)

 

Appends atoms and forcefield from system to self. Returns a list of of the new created atoms in self. Systems must have identical nonbonded_info.vdw_funct. Does not overwrite the global cell information in self.


Property Details [hide private]

chains

list of Chains in this Ct

Get Method:
unreachable.chains(self) - list of Chains in this Ct

nchains

number of Chains in this Ct

Get Method:
unreachable.nchains(self) - number of Chains in this Ct

natoms

number of Atoms in the Ct

Get Method:
unreachable.natoms(self) - number of Atoms in the Ct

atoms

list of Atoms in this Ct

Get Method:
unreachable.atoms(self) - list of Atoms in this Ct

bonds

list of Bonds in this Ct

Get Method:
unreachable.bonds(self) - list of Bonds in this Ct

name

Name of Ct

Get Method:
unreachable.name(self) - Name of Ct
Set Method:
unreachable.name(self, s)