From 8d8f0306df8057ad0715bd2eef664e2c4ad974ef Mon Sep 17 00:00:00 2001 From: Jonathan Barnoud Date: Mon, 18 Feb 2019 11:39:16 +0100 Subject: [PATCH] Augments the docstring of name_moltype.py --- vermouth/processors/name_moltype.py | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/vermouth/processors/name_moltype.py b/vermouth/processors/name_moltype.py index d82e9580f..0d6799fe6 100644 --- a/vermouth/processors/name_moltype.py +++ b/vermouth/processors/name_moltype.py @@ -13,7 +13,13 @@ # limitations under the License. """ -Assign moltype names to molecules. +Provides a processor to assign molecule type names to molecules. + +A molecule type (moltype) is Gromacs's concept of a molecule. Providing a name +for a molecule type is required to write an ITP file for that molecule. We also +use the molecule type name to group molecules sharing the same molecule type. +Molecule type identity is tested based on +:meth:`vermouth.molecule.Molecule.share_moltype_with`. """ from .processor import Processor