#---------------------------------------------------------------------------
#
# KeyMultiset: a multiset indexed by a given key.
#
# the key is usually a substring of the molecule, akin to a binding site,
# but it can also be a shorter tag that is computed from the information
# within the molecule
#
# by Lidia Yamamoto, Belgium, October 2013
#
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
#
# Copyright (C) 2015 Lidia A. R. Yamamoto
# Contact: http://www.artificial-chemistries.org/
#
# This file is part of PyCellChemistry.
#
# PyCellChemistry is free software: you can redistribute it and/or
# modify it under the terms of the GNU General Public License
# version 3, as published by the Free Software Foundation.
#
# PyCellChemistry is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with PyCellChemistry, see file COPYING. If not, see
# http://www.gnu.org/licenses/
#

Modules
		numpy sys

Classes
		KeyMultiset class KeyMultiset Methods defined here: __init__(self) initialize empty multiset empty(self) true if this multiset is empty expel(self, key, mol, mult=1) expel a given amount of a molecule from the multiset expelrnd(self, key) expel a random molecule with given key inject(self, key, mol, mult=1) inject a given amount of a molecule in the multiset, indexed by the provided key keys(self) list of keys used to index molecules in the key multiset mult(self, mol='') multiplicity: number of molecules of species 'mol' present in the multiset (regardless of key) multk(self, key) number of molecules (multiplicity) with the given key nmolecules(self) total number of molecules in the multiset nspecies(self) number of distinct molecular species in the multiset rndmol(self, key) peek at a random molecule with given key, without removing it trace(self) print the multiset object (typically for debug purposes)

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