#!/opt/anaconda1anaconda2anaconda3/bin/python
# This file is part of MSMBuilder.
#
# Copyright 2011 Stanford University
#
# MSMBuilder is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2 of the License, or
# (at your option) any later version.
#
# This program 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 this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA

##############################################################################
# Imports
##############################################################################

import os
import sys
import logging
from mdtraj import io
from msmbuilder import Project
from msmbuilder.clustering import Hierarchical
from msmbuilder import arglib
import numpy as np

##############################################################################
# Globals
##############################################################################

logger = logging.getLogger('msmbuilder.scripts.AssignHierarchical')
parser = arglib.ArgumentParser(description='Assign data using a hierarchical clustering.')
parser.add_argument('hierarchical_clustering_zmatrix', default='./Data/ZMatrix.h5',
    help='Path to hierarchical clustering zmatrix')
parser.add_argument('stride', type=int,
                    help='stride used when generating ZMatrix.h5')
parser.add_argument('project')
parser.add_argument('num_states', help='Number of States', default='none')
parser.add_argument(
    'cutoff_distance', help='Maximum cophenetic distance', default='none')
parser.add_argument('assignments', type=str)

##############################################################################
# Code
##############################################################################

def main(k, d, zmatrix_fn, stride, project):
    hierarchical = Hierarchical.load_from_disk(zmatrix_fn)
    assignments = hierarchical.get_assignments(k=k, cutoff_distance=d)

    new_assignments = np.ones(
        (project.n_trajs, project.traj_lengths.max()), dtype=np.int) * -1
    new_assignments[:, ::stride] = assignments

    return new_assignments

if __name__ == "__main__":
    args = parser.parse_args()
    k = int(args.num_states) if args.num_states != 'none' else None
    d = float(args.cutoff_distance) if args.cutoff_distance != 'none' else None
    arglib.die_if_path_exists(args.assignments)
    if k is None and d is None:
        logger.error(
            'You need to supply either a number of states or a cutoff distance')
        sys.exit(1)

    project = Project.load_from(args.project)
    assignments = main(
        k, d, args.hierarchical_clustering_zmatrix, args.stride, project)
    io.saveh(args.assignments, assignments)
    logger.info('Saved assignments to %s', args.assignments)
