Package schrodinger :: Package application :: Package desmond :: Module maestro :: Class NewEntryGroup
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Class NewEntryGroup

object --+
         |
        NewEntryGroup

A class for representing a group of Structures that can be included in or excluded from the Workspace as requested.

Instance Methods [hide private]
 
__init__(self, structures, group_name=None)
Creates an entry group with a given list of CTs.
 
dtor(self)
Deletes all entries in this entry-group.
 
duplicate(self, entry)
Duplicates an entry, and the new copy will be put in this entry-group.
 
delete(self, entry)
Deletes one or more entries from the group.
 
is_shown(self)
Returns True if all entries in this group are included into the Workspace, False otherwise.
 
is_shown_only(self)
Returns True if all entries in this group and only entries in this group are included into the Workspace.
 
show(self)
Shows all entries in this group onto Maestro workspace if 'should_show' is True, hides them if it is False.
 
hide(self)
 
show_only(self)
Shows all entries in this group onto Maestro workspace and hides other entries.
 
commit(self)
Commits any belonging changes in the Workspace to their corresponding entries that are in this group.
 
get_ct(self, copy=False)
Returns a list of 'Structure' objects of the CTs of this group.
 
getWorkspaceEntry(self)
Return the entry that is currently in the Workspace.
 
write(self, fname, mode='')
Writes all CTs to a file, whose name is given by 'fname'.
 
printStatus(self)
 
getAtomEntry(self, atom_obj)
Return the entry object (or None) that the given atom object is associated with.

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, structures, group_name=None)
(Constructor)

 

Creates an entry group with a given list of CTs.

Parameters:
Overrides: object.__init__

delete(self, entry)

 

Deletes one or more entries from the group.

Deletion happens only when the entry is in this entry group.

Parameters:
  • entry - Can be either a single Entry object or a list of Entry objects.

getWorkspaceEntry(self)

 

Return the entry that is currently in the Workspace. Or None.

write(self, fname, mode='')

 

Writes all CTs to a file, whose name is given by 'fname'.

The format of the file is determined by the extensiion name of 'fname'.

Parameters:
  • mode - If set to 'a', then instead of overwriting this function will append the structure to the end of the file.