import sys
sys.path.extend(['/home/aksenov/Simulation_wrapper/siman', '/home/aksenov/Simulation_wrapper/SSHTools'])
sys.path.extend(['C:/programms/siman-0.2', 'C:/programms/SSHTools']) #path to siman package and SSHtools
from analysis import calc_redox
from database import get_from_database
from SSHTools import SSHTools

ssh = SSHTools()
# ssh.setup(user="Andriy.Zhugayevych",host="cluster.skoltech.ru",pkey="C:/Users/azh/Sys/Internet/SSH/skoltech/key2.ppk")
ssh.setup(user="aksenov",host="10.30.100.28",pkey="/home/aksenov/.ssh/id_rsa")

cl1, cl2 = get_from_database('x1', 'x0', 'LiTiS2', ssh_object = ssh)
calc_redox(cl1, cl2)

#clarifying with 'PBEpaw400' and 'vs2' tags
cl1, cl2 = get_from_database('x1', 'x0', 'LiTiS2', inquiry_keys = ['PBEpaw400', 'vs2'], ssh_object = ssh)
calc_redox(cl1, cl2)

for mat in ['LiCoO2', 'LiMn2O4', 'LiFePO4', 'NaFePO4', 'NaMnAsO4', 'LiVPO4F',
            'KVPO4F', 'Na2FePO4F', 'KFeSO4F', 'LiVP2O7', 'Na2FeVF7']:
    cl1, cl2 = get_from_database('x1', 'x0', mat, inquiry_keys = ['UGGA'], silent = 1, ssh_object = ssh)
    calc_redox(cl1, cl2)

cl1, cl2 = get_from_database('x1', 'x0', 'LiFePO4', inquiry_keys = ['aks'], silent = 0, ssh_object = ssh)
calc_redox(cl1, cl2)

add_loop('YBaCo4O7_exp', '1uY', 1, input_geo_format = 'cee_database', cee_args = {'section':'Catalysts'},  it_folder = 'YBaCo4O7/P63MC', )