#!/usr/bin/python3
# -*- coding: utf-8 -*-
'''Pychemqt, Chemical Engineering Process simulator
Copyright (C) 2009-2023, Juan José Gómez Romera <jjgomera@gmail.com>
This program 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 3 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, see <http://www.gnu.org/licenses/>.'''
###############################################################################
# Module for properties database function
# -transformElement
# -inserElementsFromArray: Insert element to a database
# -updateElement: Update element with indice in database
# -deleteElement: Delete Element with indice from custom Database
# -getElement: Get element from database
# -copyElement: Create a copy of element of indice in custom Database
###############################################################################
import os
import sqlite3
databank_name = os.path.join(os.environ["pychemqt"], 'dat', 'databank.db')
databank = sqlite3.connect(databank_name).cursor()
databank.execute("SELECT COUNT(*) AS Total FROM compuestos")
N_comp = databank.fetchone()[0]
conf_dir = os.path.join(os.path.expanduser('~'), ".pychemqt")
databank_Custom_name = conf_dir + os.sep + 'databank.db'
if os.path.isfile(databank_Custom_name):
databank_Custom = sqlite3.connect(databank_Custom_name).cursor()
databank_Custom.execute("SELECT COUNT(*) AS Total FROM compuestos")
N_comp_Custom = databank_Custom.fetchone()[0]
else:
N_comp_Custom = 0
[docs]
def inserElementsFromArray(name, lista):
"""Insert element to a database
lista: array with component data in text format"""
conn = sqlite3.connect(name)
curs = conn.cursor()
curs.execute("SELECT COUNT(*) AS Total FROM compuestos")
numero = curs.fetchone()[0]
if name == databank_Custom_name:
numero += 10000
query = "INSERT INTO compuestos VALUES "
for indice, elemento in enumerate(lista):
vals = transformElement(elemento)
vals.insert(0, numero+indice+1)
curs.execute(query+str(tuple(vals)))
conn.commit()
conn.close()
[docs]
def updateElement(elemento, indice):
"""Update element with indice in custom Database"""
variables = [
"formula", "name", "M", "tc", "pc", "vc", "API",
"Cp_ideal_A", "Cp_ideal_B", "Cp_ideal_C", "Cp_ideal_D", "Cp_ideal_E",
"Cp_ideal_F", "antoine_A", "antoine_B", "antoine_C", "henry_A",
"henry_B", "henry_C", "henry_D", "visco_A", "visco_B", "tension_A",
"tension_B", "rhoS_DIPPR_EQ", "rhoS_DIPPR_A", "rhoS_DIPPR_B",
"rhoS_DIPPR_C", "rhoS_DIPPR_D", "rhoS_DIPPR_E", "rhoS_DIPPR_tmin",
"rhoS_DIPPR_tmax", "rhoL_DIPPR_EQ", "rhoL_DIPPR_A", "rhoL_DIPPR_B",
"rhoL_DIPPR_C", "rhoL_DIPPR_D", "rhoL_DIPPR_E", "rhoL_DIPPR_tmin",
"rhoL_DIPPR_tmax", "Pv_DIPPR_EQ", "Pv_DIPPR_A", "Pv_DIPPR_B",
"Pv_DIPPR_C", "Pv_DIPPR_D", "Pv_DIPPR_E", "Pv_DIPPR_tmin",
"Pv_DIPPR_tmax", "Hv_DIPPR_EQ", "Hv_DIPPR_A", "Hv_DIPPR_B",
"Hv_DIPPR_C", "Hv_DIPPR_D", "Hv_DIPPR_E", "Hv_DIPPR_tmin",
"Hv_DIPPR_tmax", "CpS_DIPPR_EQ", "CpS_DIPPR_A", "CpS_DIPPR_B",
"CpS_DIPPR_C", "CpS_DIPPR_D", "CpS_DIPPR_E", "CpS_DIPPR_tmin",
"CpS_DIPPR_tmax", "CpL_DIPPR_EQ", "CpL_DIPPR_A", "CpL_DIPPR_B",
"CpL_DIPPR_C", "CpL_DIPPR_D", "CpL_DIPPR_E", "CpL_DIPPR_tmin",
"CpL_DIPPR_tmax", "CpG_DIPPR_EQ", "CpG_DIPPR_A", "CpG_DIPPR_B",
"CpG_DIPPR_C", "CpG_DIPPR_D", "CpG_DIPPR_E", "CpG_DIPPR_tmin",
"CpG_DIPPR_tmax", "muL_DIPPR_EQ", "muL_DIPPR_A", "muL_DIPPR_B",
"muL_DIPPR_C", "muL_DIPPR_D", "muL_DIPPR_E", "muL_DIPPR_tmin",
"muL_DIPPR_tmax", "muG_DIPPR_EQ", "muG_DIPPR_A", "muG_DIPPR_B",
"muG_DIPPR_C", "muG_DIPPR_D", "muG_DIPPR_E", "muG_DIPPR_tmin",
"muG_DIPPR_tmax", "ThcondL_DIPPR_EQ", "ThcondL_DIPPR_A",
"ThcondL_DIPPR_B", "ThcondL_DIPPR_C", "ThcondL_DIPPR_D",
"ThcondL_DIPPR_E", "ThcondL_DIPPR_tmin", "ThcondL_DIPPR_tmax",
"ThcondG_DIPPR_EQ", "ThcondG_DIPPR_A", "ThcondG_DIPPR_B",
"ThcondG_DIPPR_C", "ThcondG_DIPPR_D", "ThcondG_DIPPR_E",
"ThcondG_DIPPR_tmin", "ThcondG_DIPPR_tmax", "tension_DIPPR_EQ",
"tension_DIPPR_A", "tension_DIPPR_B", "tension_DIPPR_C",
"tension_DIPPR_D", "tension_DIPPR_E", "tension_DIPPR_tmin",
"tension_DIPPR_tmax", "dipole", "V_liq",
"Rackett", "SG", "f_acent",
"SolubilityParameter", "watson", "Stiehl",
"Tb", "Tf", "CAS", "alternateFormula", "UNIFAC",
"Dm", "Eps_k", "UNIQUAC_area", "UNIQUAC_volumen",
"f_acent_MSRK", "Hf",
"Gf", "volumen_wilson", "NetHeating",
"GrossHeating", "Synonyms",
"volumen_caracteristico", "calor_formacion_solido",
"energia_libre_solido", "PolarParameter", "smile", "antoine_to",
"antoine_n", "antoine_E", "antoine_F", "wagner_a", "wagner_b",
"wagner_c", "wagner_d"]
vals = transformElement(elemento)
conn = sqlite3.connect(databank_Custom_name)
curs = conn.cursor()
for variable, valor in zip(variables, vals):
if isinstance(valor, int):
curs.execute('UPDATE compuestos SET %s=%i WHERE id==%i'
% (variable, valor, indice))
elif isinstance(valor, float):
curs.execute('UPDATE compuestos SET %s=%f WHERE id==%i'
% (variable, valor, indice))
elif isinstance(valor, str):
valor = '"'+valor+'"'
curs.execute('UPDATE compuestos SET %s=%s WHERE id==%i'
% (variable, valor, indice))
conn.commit()
conn.close()
[docs]
def deleteElement(indice):
"""Delete Element with indice from custom Database"""
conn = sqlite3.connect(databank_Custom_name)
curs = conn.cursor()
curs.execute("DELETE FROM compuestos WHERE id=%i" % indice)
conn.commit()
conn.close()
[docs]
def getElement(indice):
"""Get element from database
indice: index in databank of element"""
if indice > 10000:
db_Custom = sqlite3.connect(databank_Custom_name).cursor()
db_Custom.execute("select * from compuestos where id==%i" % indice)
componente = db_Custom.fetchone()
else:
db = sqlite3.connect(databank_name).cursor()
db.execute("select * from compuestos where id==%i" % indice)
componente = db.fetchone()
return componente
[docs]
def copyElement(indice):
"""Create a copy of element of indice in custom Database"""
elemento = getElement(indice)
vals = elemento[1:]
conn = sqlite3.connect(databank_Custom_name)
curs = conn.cursor()
curs.execute("INSERT INTO compuestos VALUES"
+ str((10001+N_comp_Custom, ) + vals))
conn.commit()
conn.close()
