#
# $RCSfile: AromaticityModelsData.csv,v $
# $Date: 2015/02/28 20:48:22 $
# $Revision: 1.7 $
#
# Author: Manish Sud <msud@san.rr.com>
#
# Copyright (C) 2015 Manish Sud. All rights reserved.
#
# This file is part of MayaChemTools.
#
# MayaChemTools is free software; you can redistribute it and/or modify it under
# the terms of the GNU Lesser General Public License as published by the Free
# Software Foundation; either version 3 of the License, or (at your option) any
# later version.
#
# MayaChemTools is distributed in the hope that it will be useful, but without
# any warranty; without even the implied warranty of merchantability of fitness
# for a particular purpose.  See the GNU Lesser General Public License for more
# details.
#
# You should have received a copy of the GNU Lesser General Public License
# along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or
# write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,
# Boston, MA, 02111-1307, USA.
#
#
# Notes:
#  . What is aromaticity? [ Ref 124 ] It's in the code of the implementer, did you
#    say? Agree. The implementation of aromaticity varies widely across different
#    packages [ Ref 125 ]; additionally, the implementation details are not always
#    completely available, and it's not possible to figure out the exact implementation
#    of aromaticity across various packages. Using the publicly available information,
#    however, one can try to reproduce the available results to the extent possible,
#    along with parameterizing all the control parameters used to implement different
#    aromaticity models, and that's exactly what the current release of MayaChemTools
#    does.
#  . Molecule.pm module retrieves data from this file during class instantiation
#    and makes it available to class method DetectAromaticity for detecting
#    aromaticity corresponding to a specific model.
#  . Any new added aromaticity model using existing parameters would work
#    as expected, without modifying the code; addition of new parameters,
#    however, requires its implementation in the code.
#  . Parameter values of Yes, No and None are internally mapped to 1, 0 and
#    an empty string, respectively.
#  . For parameter names containing List in their name and comma delimited set
#    of values, a new parameter is generated for each model by appending MapRef
#    to specified parameter name, which is then assigned a hash reference containing
#    key and value pairs corresponding to comma delimited values.
#
#
"ParameterName","MDLAromaticityModel","TriposAromaticityModel","MMFFAromaticityModel","ChemAxonBasicAromaticityModel","ChemAxonGeneralAromaticityModel","DaylightAromaticityModel","MayaChemToolsAromaticityModel"
"AllowHeteroRingAtoms","No","No","Yes","Yes","Yes","Yes","Yes"
"HeteroRingAtomsList","None","None","N,O,P,S","N,O,P,S,As,Se","N,O,P,S,As,Se","N,O,P,S,As,Se","N,O,P,S,As,Se,Te"
"AllowExocyclicDoubleBonds","No","No","No","No","Yes","Yes","Yes"
"AllowHomoNuclearExocyclicDoubleBonds","NA","NA","NA","NA","No","No","No"
"AllowElectronegativeRingAtomExocyclicDoubleBonds","NA","NA","NA","NA","No","No","No"
"AllowRingAtomFormalCharge","No","No","No","No","Yes","No","Yes"
"AllowHeteroRingAtomFormalCharge","NA","NA","NA","NA","Yes","NA","Yes"
"MinimumRingSize","None","None","None","5","None","None","None"
