Python ComponentContribution.create_group_incidence_matrix Examples

Example #1

# -*- coding: utf-8 -*-
"""
Created on Wed Jun  3 15:25:49 2015

@author: noore
"""
from component_contribution.component_contribution_trainer import ComponentContribution
from scipy.io import savemat
import argparse

if __name__ == '__main__':
    parser = argparse.ArgumentParser(
        description=
        'Prepare all thermodynamic training data in a .mat file for running '
        'component contribution.')
    parser.add_argument('out_file',
                        type=argparse.FileType('wb'),
                        help='path to the .mat file that should be written '
                        'containing the training data')

    args = parser.parse_args()
    cc = ComponentContribution()

    mdict = {
        'w': cc.train_w,
        'b': cc.train_b,
        'G': cc.create_group_incidence_matrix(),
        'cids': cc.train_cids,
        'S': cc.train_S
    }
    savemat(args.out_file, mdict, do_compression=True)

Example #2

File: prepare_training_data.py Project: dmccloskey/component-contribution

# -*- coding: utf-8 -*-
"""
Created on Wed Jun  3 15:25:49 2015

@author: noore
"""
from component_contribution.component_contribution_trainer import ComponentContribution
from scipy.io import savemat
import argparse

if __name__ == '__main__':
    parser = argparse.ArgumentParser(description=
        'Prepare all thermodynamic training data in a .mat file for running '
        'component contribution.')
    parser.add_argument('out_file', type=argparse.FileType('wb'),
                       help='path to the .mat file that should be written '
                       'containing the training data')
    
    args = parser.parse_args()
    cc = ComponentContribution()

    mdict = {
             'w': cc.train_w,
             'b': cc.train_b,
             'G': cc.create_group_incidence_matrix(),
             'cids': cc.train_cids,
             'S': cc.train_S
             }
    savemat(args.out_file, mdict, do_compression=True)