deconstruct_GC_VTPR.py 文件源码

def interaction_parameters(ofname):
    df = pandas.read_excel('GC-VTPR.xlsx', sheetname='InteractionParameters')
    df = df.fillna(0.0)
    entries = []
    for i,row in df.iterrows():
        entry = {
            "a_ij": row['aij / K'],
            "a_ji": row['aji / K'],
            "b_ij": row['bij'],
            "b_ji": row['bji'],
            "c_ij": row['cij / K-1'], 
            "c_ji": row['cji / K-1'], 
            "mgi1": row['i'], 
            "mgi2": row['j']
        }
        entries.append(entry)

    with open(ofname, 'w') as fp:
        json.dump(entries, fp, indent = 2, sort_keys = True)