#!/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/>.'''
###############################################################################
# Library to define functions necessary to run at first pychemqt run, so don't
# let import other pychemqt library to avoid import error when no config
# files availables.
# -createDatabase: Create empty database
###############################################################################
from configparser import ConfigParser
import datetime
import http.client
import json
import logging
import os
import sqlite3
import sys
# It must be defined previously to avoid to early import of libraries
# See end of lib/unidades.py to know how to get this list, check when new
# magnitude are added
magnitudes = [
'Acceleration', 'Angle', 'Area', 'CakeResistance', 'Currency', 'Density',
'DenLiq', 'DenGas', 'DensityPressure', 'DensityTemperature', 'Diffusivity',
'KViscosity', 'DipoleMoment', 'PotencialElectric', 'Energy', 'Work',
'Enthalpy', 'EnthalpyDensity', 'EnthalpyPressure', 'Entropy', 'Force',
'Fouling', 'Frequency', 'V2V', 'HeatFlux', 'HeatTransfCoef', 'Length',
'ParticleDiameter', 'Thickness', 'PipeDiameter', 'Head', 'Mass',
'MassFlow', 'Mol', 'MolarDensity', 'MolarEnthalpy', 'MolarFlow',
'MolarSpecificHeat', 'MolarVolume', 'PackingDP', 'EnergyFlow', 'Power',
'Pressure', 'DeltaP', 'InvPressure', 'PressureTemperature',
'PressureDensity', 'SolubilityParameter', 'SpecificHeat',
'SpecificEntropy', 'SpecificVolume', 'Speed', 'Tension', 'Temperature',
'DeltaT', 'InvTemperature', 'TemperaturePressure', 'ThermalConductivity',
'SpecificVolume_square', 'Time', 'UA', 'Viscosity', 'Volume', 'VolLiq',
'VolGas', 'VolFlow', 'QLiq', 'QGas', 'Dimensionless']
# See end of equipment.__init__.py to know how to get this list, check when new
# fully functional are added
equipos = ['Divider', 'Valve', 'Mixer', 'Pump', 'Compressor', 'Turbine',
'Pipe', 'Flash', 'ColumnFUG', 'Heat_Exchanger', 'Shell_Tube',
'Hairpin', 'Fired_Heater', 'Ciclon', 'GravityChamber', 'Baghouse',
'ElectricPrecipitator', 'Dryer', 'Scrubber', 'Spreadsheet',
'Reactor']
[docs]
def which(program):
"""Function to detect program availability in system and return path"""
def is_exe(fpath):
return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
fpath = os.path.dirname(program)
if fpath:
if is_exe(program):
return program
else:
for path in os.environ["PATH"].split(os.pathsep):
path = path.strip('"')
exe_file = os.path.join(path, program)
if is_exe(exe_file):
return exe_file
return ""
calculator = ""
if sys.platform == "win32":
calculator = "calc.exe"
else:
for programa in ["qalculate", "gcalctool", "kcalc"]:
ejecutable = which(programa)
if ejecutable:
calculator = ejecutable
break
editor = ""
if sys.platform == "win32":
editor = "notepad.exe"
else:
for programa in ["gedit", "leafpad", "geany", "kate", "kwrite", "vim",
"vi", "emacs", "nano", "pico"]:
ejecutable = which(programa)
if ejecutable:
editor = ejecutable
break
shell = ""
if sys.platform == "win32":
shell = ""
else:
shell = which("xterm")
# TODO: For now only support xterm
# for program in ["xterm", "gnome-terminal", "kterminal", "lxterminal",
# "xfce4-terminal", "terminator"]:
# exe = which(program)
# if exe:
# shell = exe
# break
[docs]
def Preferences():
"""Function to define a first preferences file"""
conf = ConfigParser()
# General
conf.add_section("General")
conf.set("General", "Color_Resaltado", "#ffff00")
conf.set("General", "Color_ReadOnly", "#eaeaea")
conf.set("General", "Recent_Files", "10")
conf.set("General", "Load_Last_Project", "True")
conf.set("General", "Tray", "False")
# PFD
conf.add_section("PFD")
conf.set("PFD", "x", "800")
conf.set("PFD", "y", "600")
conf.set("PFD", "brush", "1")
conf.set("PFD", "brushColor", "#aaaaaa")
conf.set("PFD", "Color_Entrada", "#c80000")
conf.set("PFD", "Color_Salida", "#0000c8")
conf.set("PFD", "Color_Stream", "#000000")
conf.set("PFD", "Width", "1.0")
conf.set("PFD", "Union", "0")
conf.set("PFD", "Miter_limit", "2.0")
conf.set("PFD", "Punta", "0")
conf.set("PFD", "Guion", "0")
conf.set("PFD", "Dash_offset", "0.0")
# TooltipEntity
conf.add_section("TooltipEntity")
conf.set("TooltipEntity", "Corriente", "0,1")
for equipo in equipos:
conf.set("TooltipEntity", equipo, "0,1")
# Tooltip
conf.add_section("Tooltip")
conf.set("Tooltip", "Show", "True")
conf.set("Tooltip", "SI", "False")
conf.set("Tooltip", "CGS", "False")
conf.set("Tooltip", "AltSI", "False")
conf.set("Tooltip", "English", "False")
conf.set("Tooltip", "Metric", "False")
for magnitud in magnitudes[:-1]:
conf.set("Tooltip", magnitud, "0,1")
# NumericFactor
conf.add_section("NumericFormat")
for magnitud in magnitudes:
kwarg = {'total': 0, 'signo': False, 'decimales': 4, 'fmt': 0}
conf.set("NumericFormat", magnitud, str(kwarg))
# Petro
conf.add_section("petro")
conf.set("petro", "M", "0")
conf.set("petro", "critical", "0")
conf.set("petro", "vc", "0")
conf.set("petro", "f_acent", "0")
conf.set("petro", "Tb", "0")
conf.set("petro", "SG", "0")
conf.set("petro", "n", "0")
conf.set("petro", "Zc", "0")
conf.set("petro", "PNA", "0")
conf.set("petro", "H", "0")
conf.set("petro", "curve", "0")
# Applications
conf.add_section("Applications")
conf.set("Applications", "Calculator", calculator)
conf.set("Applications", "TextViewer", editor)
conf.set("Applications", "PDF", "False")
conf.set("Applications", "PDFExternal", "")
conf.set("Applications", "Shell", shell)
conf.set("Applications", "ipython", "False")
conf.set("Applications", "maximized", "False")
conf.set("Applications", "foregroundColor", "#ffffff")
conf.set("Applications", "backgroundColor", "#000000")
conf.set("Applications", "elementalColorby", "serie")
conf.set("Applications", "elementalDefinition", "10")
conf.set("Applications", "elementalLog", "False")
# Plotting
conf.add_section("Plot")
conf.set("Plot", "style", "0")
conf.set("Plot", "customize", "False")
conf.set("Plot", "axes.axisbelow", "line")
conf.set("Plot", "axes.formatter.limits", "-5, 5")
conf.set("Plot", "axes.edgecolor", "#000000")
conf.set("Plot", "axes.facecolor", "#ffffff")
conf.set("Plot", "axes.formatter.min_exponent", "0")
conf.set("Plot", "axes.formatter.offset_threshold", "4")
conf.set("Plot", "axes.formatter.use_locale", "False")
conf.set("Plot", "axes.formatter.use_mathtext", "False")
conf.set("Plot", "axes.formatter.useoffset", "True")
conf.set("Plot", "axes.grid", "False")
conf.set("Plot", "axes.grid.axis", "both")
conf.set("Plot", "axes.grid.which", "major")
conf.set("Plot", "axes.labelcolor", "#000000")
conf.set("Plot", "axes.labelpad", "4")
conf.set("Plot", "axes.labelsize", "medium")
conf.set("Plot", "axes.labelweight", "normal")
conf.set("Plot", "axes.linewidth", "0.8")
conf.set("Plot", "axes.spines.bottom", "True")
conf.set("Plot", "axes.spines.left", "True")
conf.set("Plot", "axes.spines.right", "True")
conf.set("Plot", "axes.spines.top", "True")
conf.set("Plot", "axes.titlecolor", "#000000")
conf.set("Plot", "axes.titlelocation", "center")
conf.set("Plot", "axes.titlepad", "6")
conf.set("Plot", "axes.titlesize", "large")
conf.set("Plot", "axes.titleweight", "normal")
conf.set("Plot", "axes.titley", "1.0")
conf.set("Plot", "axes.unicode_minus", "True")
conf.set("Plot", "axes.xmargin", "0.05")
conf.set("Plot", "axes.ymargin", "0.05")
conf.set("Plot", "axes.zmargin", "0.05")
conf.set("Plot", "axes3d.grid", "True")
conf.set("Plot", "xaxis.labellocation", "center")
conf.set("Plot", "yaxis.labellocation", "center")
conf.set("Plot", "figure.autolayout", "False")
conf.set("Plot", "figure.constrained_layout.h_pad", "0.04")
conf.set("Plot", "figure.constrained_layout.hspace", "0.02")
conf.set("Plot", "figure.constrained_layout.w_pad", "0.04")
conf.set("Plot", "figure.constrained_layout.wspace", "0.02")
conf.set("Plot", "figure.dpi", "100")
conf.set("Plot", "figure.edgecolor", "#ffffff")
conf.set("Plot", "figure.facecolor", "#ffffff")
conf.set("Plot", "figure.frameon", "True")
conf.set("Plot", "figure.labelsize", "large")
conf.set("Plot", "figure.labelweight", "normal")
conf.set("Plot", "figure.subplot.bottom", "0.11")
conf.set("Plot", "figure.subplot.hspace", "0.2")
conf.set("Plot", "figure.subplot.left", "0.13")
conf.set("Plot", "figure.subplot.right", "0.9")
conf.set("Plot", "figure.subplot.top", "0.88")
conf.set("Plot", "figure.subplot.wspace", "0.2")
conf.set("Plot", "figure.titlesize", "large")
conf.set("Plot", "figure.titleweight", "normal")
conf.set("Plot", "font.family", "sans-serif")
conf.set("Plot", "font.size", "10.0")
conf.set("Plot", "font.stretch", "normal")
conf.set("Plot", "font.style", "normal")
conf.set("Plot", "font.variant", "normal")
conf.set("Plot", "font.weight", "normal")
conf.set("Plot", "grid.alpha", "1.0")
conf.set("Plot", "grid.color", "#b0b0b0")
conf.set("Plot", "grid.linestyle", "-")
conf.set("Plot", "grid.linewidth", "0.8")
conf.set("Plot", "hatch.color", "#000000")
conf.set("Plot", "hatch.linewidth", "1.0")
conf.set("Plot", "legend.borderaxespad", "0.5")
conf.set("Plot", "legend.borderpad", "0.4")
conf.set("Plot", "legend.columnspacing", "2.0")
conf.set("Plot", "legend.edgecolor", "#cccccc")
conf.set("Plot", "legend.facecolor", "#ffffff")
conf.set("Plot", "legend.fancybox", "True")
conf.set("Plot", "legend.fontsize", "medium")
conf.set("Plot", "legend.framealpha", "0.8")
conf.set("Plot", "legend.frameon", "True")
conf.set("Plot", "legend.handleheight", "0.7")
conf.set("Plot", "legend.handlelength", "2.0")
conf.set("Plot", "legend.handletextpad", "0.8")
conf.set("Plot", "legend.labelcolor", "#000000")
conf.set("Plot", "legend.labelspacing", "0.5")
conf.set("Plot", "legend.loc", "best")
conf.set("Plot", "legend.markerscale", "1.0")
conf.set("Plot", "legend.numpoints", "1")
conf.set("Plot", "legend.scatterpoints", "1")
conf.set("Plot", "legend.shadow", "False")
conf.set("Plot", "legend.title_fontsize", "xx-small")
conf.set("Plot", "lines.antialiased", "True")
conf.set("Plot", "lines.color", "#1f77b4")
conf.set("Plot", "lines.dash_capstyle", "butt")
conf.set("Plot", "lines.dash_joinstyle", "round")
conf.set("Plot", "lines.linestyle", "-")
conf.set("Plot", "lines.linewidth", "1.5")
conf.set("Plot", "lines.marker", "None")
conf.set("Plot", "lines.markeredgecolor", "#000000")
conf.set("Plot", "lines.markeredgewidth", "1.0")
conf.set("Plot", "lines.markerfacecolor", "#2ca02c")
conf.set("Plot", "lines.markersize", "6.0")
conf.set("Plot", "lines.scale_dashes", "True")
conf.set("Plot", "lines.solid_capstyle", "projecting")
conf.set("Plot", "lines.solid_joinstyle", "round")
conf.set("Plot", "patch.antialiased", "True")
conf.set("Plot", "patch.edgecolor", "#000000")
conf.set("Plot", "patch.facecolor", "#1f77b4")
conf.set("Plot", "patch.force_edgecolor", "False")
conf.set("Plot", "patch.linewidth", "1.0")
conf.set("Plot", "savefig.bbox", "standard")
conf.set("Plot", "savefig.dpi", "100")
conf.set("Plot", "savefig.edgecolor", "#ffffff")
conf.set("Plot", "savefig.facecolor", "#ffffff")
conf.set("Plot", "savefig.format", "png")
conf.set("Plot", "savefig.pad_inches", "0.1")
conf.set("Plot", "savefig.transparent", "False")
conf.set("Plot", "xtick.alignment", "center")
conf.set("Plot", "xtick.bottom", "True")
conf.set("Plot", "xtick.color", "#000000")
conf.set("Plot", "xtick.direction", "out")
conf.set("Plot", "xtick.labelbottom", "True")
conf.set("Plot", "xtick.labelcolor", "#000000")
conf.set("Plot", "xtick.labelsize", "medium")
conf.set("Plot", "xtick.labeltop", "False")
conf.set("Plot", "xtick.major.bottom", "True")
conf.set("Plot", "xtick.major.pad", "3.5")
conf.set("Plot", "xtick.major.size", "3.5")
conf.set("Plot", "xtick.major.top", "True")
conf.set("Plot", "xtick.major.width", "0.8")
conf.set("Plot", "xtick.minor.bottom", "True")
conf.set("Plot", "xtick.minor.pad", "3.4")
conf.set("Plot", "xtick.minor.size", "2.0")
conf.set("Plot", "xtick.minor.top", "True")
conf.set("Plot", "xtick.minor.visible", "False")
conf.set("Plot", "xtick.minor.width", "0.6")
conf.set("Plot", "xtick.top", "False")
conf.set("Plot", "ytick.alignment", "center_baseline")
conf.set("Plot", "ytick.color", "#000000")
conf.set("Plot", "ytick.direction", "out")
conf.set("Plot", "ytick.labelcolor", "#000000")
conf.set("Plot", "ytick.labelleft", "True")
conf.set("Plot", "ytick.labelright", "False")
conf.set("Plot", "ytick.labelsize", "medium")
conf.set("Plot", "ytick.left", "True")
conf.set("Plot", "ytick.major.left", "True")
conf.set("Plot", "ytick.major.pad", "3.5")
conf.set("Plot", "ytick.major.right", "True")
conf.set("Plot", "ytick.major.size", "3.5")
conf.set("Plot", "ytick.major.width", "0.8")
conf.set("Plot", "ytick.minor.left", "True")
conf.set("Plot", "ytick.minor.pad", "3.4")
conf.set("Plot", "ytick.minor.right", "True")
conf.set("Plot", "ytick.minor.size", "2.0")
conf.set("Plot", "ytick.minor.visible", "False")
conf.set("Plot", "ytick.minor.width", "0.6")
conf.set("Plot", "ytick.right", "False")
# mEoS
conf.add_section("MEOS")
conf.set("MEOS", "coolprop", "False")
conf.set("MEOS", "refprop", "False")
conf.set("MEOS", "saturation"+"Color", "#000000")
conf.set("MEOS", "saturation"+"alpha", "255")
conf.set("MEOS", "saturation"+"lineWidth", "1.0")
conf.set("MEOS", "saturation"+"lineStyle", "-")
conf.set("MEOS", "saturation"+"marker", "None")
conf.set("MEOS", "saturation"+"markersize", "3")
conf.set("MEOS", "saturation"+"markerfacecolor", "#ff0000")
conf.set("MEOS", "saturation"+"markeredgewidth", "1")
conf.set("MEOS", "saturation"+"markeredgecolor", "#000000")
conf.set("MEOS", "grid", "False")
conf.set("MEOS", "definition", "1")
lineas = ["Isotherm", "Isobar", "Isoenthalpic", "Isoentropic", "Isochor",
"Isoquality"]
for linea in lineas:
conf.set("MEOS", linea+"Start", "0")
conf.set("MEOS", linea+"End", "0")
conf.set("MEOS", linea+"Step", "0")
conf.set("MEOS", linea+"Custom", "True")
conf.set("MEOS", linea+"List", "")
if linea != "Isoquality":
conf.set("MEOS", linea+"Critic", "True")
conf.set("MEOS", linea+"Color", "#000000")
conf.set("MEOS", linea+"alpha", "255")
conf.set("MEOS", linea+"lineWidth", "0.5")
conf.set("MEOS", linea+"lineStyle", "-")
conf.set("MEOS", linea+"marker", "None")
conf.set("MEOS", linea+"markersize", "3")
conf.set("MEOS", linea+"markerfacecolor", "#ff0000")
conf.set("MEOS", linea+"markeredgewidth", "1")
conf.set("MEOS", linea+"markeredgecolor", "#000000")
conf.set("MEOS", linea+"Label", "False")
conf.set("MEOS", linea+"Variable", "False")
conf.set("MEOS", linea+"Units", "False")
conf.set("MEOS", linea+"Position", "50")
conf.set("MEOS", "3Dmesh", "False")
conf.set("MEOS", "3Dtype", "0")
conf.set("MEOS", "3Dcolormap", "viridis")
conf.set("MEOS", "3Dalphasurface", "150")
conf.set("MEOS", "3Dcolor", "#000000")
conf.set("MEOS", "3Dalpha", "150")
conf.set("MEOS", "3Dlinewidth", "0.5")
conf.set("MEOS", "3Dlinestyle", "-")
# Psychr
conf.add_section("Psychr")
conf.set("Psychr", "chart", "True")
conf.set("Psychr", "virial", "False")
conf.set("Psychr", "coolprop", "False")
conf.set("Psychr", "refprop", "False")
conf.set("Psychr", "saturation"+"Color", "#000000")
conf.set("Psychr", "saturation"+"alpha", "255")
conf.set("Psychr", "saturation"+"lineWidth", "0.5")
conf.set("Psychr", "saturation"+"lineStyle", "-")
conf.set("Psychr", "saturation"+"marker", "None")
conf.set("Psychr", "saturation"+"markersize", "3")
conf.set("Psychr", "saturation"+"markerfacecolor", "#ff0000")
conf.set("Psychr", "saturation"+"markeredgewidth", "1")
conf.set("Psychr", "saturation"+"markeredgecolor", "#000000")
conf.set("Psychr", "crux"+"Color", "#0000ff")
conf.set("Psychr", "crux"+"alpha", "255")
conf.set("Psychr", "crux"+"lineWidth", "0.5")
conf.set("Psychr", "crux"+"lineStyle", "-")
conf.set("Psychr", "crux"+"marker", "None")
conf.set("Psychr", "crux"+"markersize", "3")
conf.set("Psychr", "crux"+"markerfacecolor", "#ff0000")
conf.set("Psychr", "crux"+"markeredgewidth", "1")
conf.set("Psychr", "crux"+"markeredgecolor", "#000000")
lineas = ["IsoTdb", "IsoW", "IsoHR", "IsoTwb", "Isochor"]
values = [
{"start": 274.0, "end": 330.0, "step": 1.0, "color": "#000000",
"linewidth": 0.5, "linestyle": ":", "label": "False",
"units": "False", "position": 50},
{"start": 0.0, "end": 0.04, "step": 0.001, "color": "#000000",
"linewidth": 0.5, "linestyle": ":", "label": "False",
"units": "False", "position": 50},
{"start": 10.0, "end": 100.0, "step": 10.0, "color": "#000000",
"linewidth": 0.5, "linestyle": "--", "label": "True",
"units": "True", "position": 85},
{"start": 250.0, "end": 320.0, "step": 1.0, "color": "#aa0000",
"linewidth": 0.8, "linestyle": ":", "label": "False",
"units": "False", "position": 90},
{"start": 0.7, "end": 1.3, "step": 0.01, "color": "#00aa00",
"linewidth": 0.8, "linestyle": ":", "label": "False",
"units": "False", "position": 90}]
for linea, value in zip(lineas, values):
conf.set("Psychr", linea+"Start", str(value["start"]))
conf.set("Psychr", linea+"End", str(value["end"]))
conf.set("Psychr", linea+"Step", str(value["step"]))
conf.set("Psychr", linea+"Custom", "False")
conf.set("Psychr", linea+"List", "")
conf.set("Psychr", linea+"Color", str(value["color"]))
conf.set("Psychr", linea+"alpha", "255")
conf.set("Psychr", linea+"lineWidth", str(value["linewidth"]))
conf.set("Psychr", linea+"lineStyle", str(value["linestyle"]))
conf.set("Psychr", linea+"marker", "None")
conf.set("Psychr", linea+"markersize", "3")
conf.set("Psychr", linea+"markerfacecolor", "#ff0000")
conf.set("Psychr", linea+"markeredgewidth", "1")
conf.set("Psychr", linea+"markeredgecolor", "#000000")
conf.set("Psychr", linea+"Label", str(value["label"]))
conf.set("Psychr", linea+"Units", str(value["units"]))
conf.set("Psychr", linea+"Position", str(value["position"]))
conf.set("Psychr", linea+"variable", str(False))
# Moody
conf.add_section("Moody")
conf.set("Moody", "fanning", "False")
conf.set("Moody", "method", "0")
conf.set("Moody", "ed", "0, 1e-6, 5e-6, 1e-5, 2e-5, 5e-5, 1e-4, 2e-4, "
"4e-4, 6e-4, 8e-4, .001, .0015, .002, .003, .004, .006, .008, "
".01, .0125, .015, .0175, .02, .025, .03, .035, .04, .045, "
".05, .06, .07")
conf.set("Moody", "line"+"Color", "#000000")
conf.set("Moody", "line"+"alpha", "255")
conf.set("Moody", "line"+"lineWidth", "0.5")
conf.set("Moody", "line"+"lineStyle", "-")
conf.set("Moody", "line"+"marker", "None")
conf.set("Moody", "line"+"markersize", "3")
conf.set("Moody", "line"+"markerfacecolor", "#ff0000")
conf.set("Moody", "line"+"markeredgewidth", "1")
conf.set("Moody", "line"+"markeredgecolor", "#000000")
conf.set("Moody", "crux"+"Color", "#0000ff")
conf.set("Moody", "crux"+"alpha", "255")
conf.set("Moody", "crux"+"lineWidth", "0.5")
conf.set("Moody", "crux"+"lineStyle", "-")
conf.set("Moody", "crux"+"marker", "None")
conf.set("Moody", "crux"+"markersize", "3")
conf.set("Moody", "crux"+"markerfacecolor", "#ff0000")
conf.set("Moody", "crux"+"markeredgewidth", "1")
conf.set("Moody", "crux"+"markeredgecolor", "#000000")
conf.set("Moody", "grid", "True")
conf.set("Moody", "grid"+"Color", "#000000")
conf.set("Moody", "grid"+"alpha", "255")
conf.set("Moody", "grid"+"lineWidth", "0.5")
conf.set("Moody", "grid"+"lineStyle", ":")
conf.set("Moody", "grid"+"marker", "None")
conf.set("Moody", "grid"+"markersize", "3")
conf.set("Moody", "grid"+"markerfacecolor", "#ff0000")
conf.set("Moody", "grid"+"markeredgewidth", "1")
conf.set("Moody", "grid"+"markeredgecolor", "#000000")
conf.set("Moody", "grid"+"which", "both")
conf.set("Moody", "grid"+"axis", "both")
# Standing-Katz
conf.add_section("Standing_Katz")
conf.set("Standing_Katz", "method", "0")
conf.set("Standing_Katz", "Tr", "1.05, 1.1, 1.15, 1.2, 1.25, 1.3, 1.35,"
"1.4, 1.5, 1.6, 1.7, 1.8, 1.9, 2., 2.2, 2.4, 2.6, 2.8, 3.")
conf.set("Standing_Katz", "line"+"Color", "#000000")
conf.set("Standing_Katz", "line"+"alpha", "255")
conf.set("Standing_Katz", "line"+"lineWidth", "0.5")
conf.set("Standing_Katz", "line"+"lineStyle", "-")
conf.set("Standing_Katz", "line"+"marker", "None")
conf.set("Standing_Katz", "line"+"markersize", "3")
conf.set("Standing_Katz", "line"+"markerfacecolor", "#ff0000")
conf.set("Standing_Katz", "line"+"markeredgewidth", "1")
conf.set("Standing_Katz", "line"+"markeredgecolor", "#000000")
conf.set("Standing_Katz", "crux"+"Color", "#0000ff")
conf.set("Standing_Katz", "crux"+"alpha", "255")
conf.set("Standing_Katz", "crux"+"lineWidth", "0.5")
conf.set("Standing_Katz", "crux"+"lineStyle", "-")
conf.set("Standing_Katz", "crux"+"marker", "None")
conf.set("Standing_Katz", "crux"+"markersize", "3")
conf.set("Standing_Katz", "crux"+"markerfacecolor", "#ff0000")
conf.set("Standing_Katz", "crux"+"markeredgewidth", "1")
conf.set("Standing_Katz", "crux"+"markeredgecolor", "#000000")
conf.set("Standing_Katz", "grid", "True")
conf.set("Standing_Katz", "grid"+"Color", "#000000")
conf.set("Standing_Katz", "grid"+"alpha", "255")
conf.set("Standing_Katz", "grid"+"lineWidth", "0.5")
conf.set("Standing_Katz", "grid"+"lineStyle", ":")
conf.set("Standing_Katz", "grid"+"marker", "None")
conf.set("Standing_Katz", "grid"+"markersize", "3")
conf.set("Standing_Katz", "grid"+"markerfacecolor", "#ff0000")
conf.set("Standing_Katz", "grid"+"markeredgewidth", "1")
conf.set("Standing_Katz", "grid"+"markeredgecolor", "#000000")
conf.set("Standing_Katz", "grid"+"which", "both")
conf.set("Standing_Katz", "grid"+"axis", "both")
# drag sphere
conf.add_section("drag")
conf.set("drag", "method", "0")
conf.set("drag", "line"+"Color", "#000000")
conf.set("drag", "line"+"alpha", "255")
conf.set("drag", "line"+"lineWidth", "0.5")
conf.set("drag", "line"+"lineStyle", "-")
conf.set("drag", "line"+"marker", "None")
conf.set("drag", "line"+"markersize", "3")
conf.set("drag", "line"+"markerfacecolor", "#ff0000")
conf.set("drag", "line"+"markeredgewidth", "1")
conf.set("drag", "line"+"markeredgecolor", "#000000")
conf.set("drag", "crux"+"Color", "#0000ff")
conf.set("drag", "crux"+"alpha", "255")
conf.set("drag", "crux"+"lineWidth", "0.5")
conf.set("drag", "crux"+"lineStyle", "-")
conf.set("drag", "crux"+"marker", "None")
conf.set("drag", "crux"+"markersize", "3")
conf.set("drag", "crux"+"markerfacecolor", "#ff0000")
conf.set("drag", "crux"+"markeredgewidth", "1")
conf.set("drag", "crux"+"markeredgecolor", "#000000")
conf.set("drag", "grid", "True")
conf.set("drag", "grid"+"Color", "#000000")
conf.set("drag", "grid"+"alpha", "255")
conf.set("drag", "grid"+"lineWidth", "0.5")
conf.set("drag", "grid"+"lineStyle", ":")
conf.set("drag", "grid"+"marker", "None")
conf.set("drag", "grid"+"markersize", "3")
conf.set("drag", "grid"+"markerfacecolor", "#ff0000")
conf.set("drag", "grid"+"markeredgewidth", "1")
conf.set("drag", "grid"+"markeredgecolor", "#000000")
conf.set("drag", "grid"+"which", "both")
conf.set("drag", "grid"+"axis", "both")
# Openbabel
conf.add_section("Openbabel")
conf.set("Openbabel", "BondColor", "#000000")
conf.set("Openbabel", "BackgroundColor", "#ffffff")
conf.set("Openbabel", "BackColorAlpha", "0")
conf.set("Openbabel", "AtomsColor", "True")
conf.set("Openbabel", "AtomsAll", "False")
conf.set("Openbabel", "AtomsEnd", "True")
conf.set("Openbabel", "AtomsNone", "False")
conf.set("Openbabel", "AtomsIndex", "False")
conf.set("Openbabel", "TighBond", "False")
conf.set("Openbabel", "AsymetricDouble", "True")
conf.set("Openbabel", "AtomIndex", "False")
return conf
[docs]
def config():
"""Function to define a first project config file"""
conf = ConfigParser()
# Components
conf.add_section("Components")
conf.set("Components", "Components", "[]")
conf.set("Components", "Solids", "[]")
# Thermodynamics
conf.add_section("Thermo")
conf.set("Thermo", "K", "0")
conf.set("Thermo", "Alfa", "0")
conf.set("Thermo", "Mixing", "0")
conf.set("Thermo", "H", "0")
conf.set("Thermo", "Cp_ideal", "0")
conf.set("Thermo", "MEoS", "False")
conf.set("Thermo", "iapws", "False")
conf.set("Thermo", "GERG", "False")
conf.set("Thermo", "freesteam", "False")
conf.set("Thermo", "coolProp", "False")
conf.set("Thermo", "refprop", "False")
# Transport
conf.add_section("Transport")
conf.set("Transport", "RhoL", "0")
conf.set("Transport", "MuL", "0")
conf.set("Transport", "MuG", "0")
conf.set("Transport", "Tension", "0")
conf.set("Transport", "ThCondL", "0")
conf.set("Transport", "ThCondG", "0")
conf.set("Transport", "Pv", "0")
conf.set("Transport", "f_acent", "0")
conf.set("Transport", "Corr_RhoL", "0")
conf.set("Transport", "Corr_MuL", "0")
conf.set("Transport", "Corr_MuG", "0")
conf.set("Transport", "Corr_ThCondL", "0")
conf.set("Transport", "Corr_ThCondG", "0")
conf.set("Transport", "RhoLMix", "0")
conf.set("Transport", "MuLMix", "0")
conf.set("Transport", "MuGMix", "0")
conf.set("Transport", "ThCondLMix", "0")
conf.set("Transport", "ThCondGMix", "0")
conf.set("Transport", "Corr_RhoLMix", "0")
conf.set("Transport", "Corr_MuGMix", "0")
conf.set("Transport", "Corr_ThCondGMix", "0")
conf.set("Transport", "RhoLEoS", "False")
# Units
conf.add_section("Units")
conf.set("Units", "System", "0")
for magnitud in magnitudes[:-1]:
conf.set("Units", magnitud, "0")
# Resolution
conf.add_section("PFD")
conf.set("PFD", "x", "600")
conf.set("PFD", "y", "480")
return conf
[docs]
def getrates(filename):
"""Procedure to update change rates"""
rates = {}
# Get date from old file to avoid bad use of server, only one use a day
try:
archivo = open(filename, "r")
olddate = datetime.date.fromisoformat(json.load(archivo)["date"])
date = datetime.date.today()
if date <= olddate:
logging.info("Currency, using saved data")
return
except FileNotFoundError:
pass
conn = http.client.HTTPSConnection("api.currencyscoop.com")
conn.request("GET", "/v1/latest?api_key=c92991dc6b5f33389fcff081bcede004")
# Alternate web service
# key = "cc1eW8osv25urLFAf1HUGxZe1MotMDhS"
# conn = http.client.HTTPSConnection("api.apilayer.com")
# conn.request("GET", "/exchangerates_data/latest?base=USD&apikey=" + key)
res = conn.getresponse().read().decode("utf-8")
data = json.loads(res)["response"]["rates"]
date = json.loads(res)["response"]["date"][:10]
for iso, value in data.items():
if value:
rates[iso.lower()] = 1/value
rates["date"] = date
json.dump(rates, open(filename, "w"), indent=4)
[docs]
def createDatabase(name):
"""Create empty database"""
conn = sqlite3.connect(name)
curs = conn.cursor()
curs.execute("""
CREATE TABLE compuestos (
id INTEGER PRIMARY KEY,
formula TEXT,
name TEXT,
M FLOAT,
tc FLOAT,
pc FLOAT,
vc FLOAT,
API FLOAT,
Cp_ideal_A FLOAT,
Cp_ideal_B FLOAT,
Cp_ideal_C FLOAT,
Cp_ideal_D FLOAT,
Cp_ideal_E FLOAT,
Cp_ideal_F FLOAT,
antoine_A FLOAT,
antoine_B FLOAT,
antoine_C FLOAT,
henry_A FLOAT,
henry_B FLOAT,
henry_C FLOAT,
henry_D FLOAT,
visco_A FLOAT,
visco_B FLOAT,
tension_A FLOAT,
tension_B FLOAT,
rhoS_DIPPR_EQ INTEGER,
rhoS_DIPPR_A FLOAT,
rhoS_DIPPR_B FLOAT,
rhoS_DIPPR_C FLOAT,
rhoS_DIPPR_D FLOAT,
rhoS_DIPPR_E FLOAT,
rhoS_DIPPR_tmin FLOAT,
rhoS_DIPPR_tmax FLOAT,
rhoL_DIPPR_EQ INTEGER,
rhoL_DIPPR_A FLOAT,
rhoL_DIPPR_B FLOAT,
rhoL_DIPPR_C FLOAT,
rhoL_DIPPR_D FLOAT,
rhoL_DIPPR_E FLOAT,
rhoL_DIPPR_tmin FLOAT,
rhoL_DIPPR_tmax FLOAT,
Pv_DIPPR_EQ INTEGER,
Pv_DIPPR_A FLOAT,
Pv_DIPPR_B FLOAT,
Pv_DIPPR_C FLOAT,
Pv_DIPPR_D FLOAT,
Pv_DIPPR_E FLOAT,
Pv_DIPPR_tmin FLOAT,
Pv_DIPPR_tmax FLOAT,
Hv_DIPPR_EQ INTEGER,
Hv_DIPPR_A FLOAT,
Hv_DIPPR_B FLOAT,
Hv_DIPPR_C FLOAT,
Hv_DIPPR_D FLOAT,
Hv_DIPPR_E FLOAT,
Hv_DIPPR_tmin FLOAT,
Hv_DIPPR_tmax FLOAT,
CpS_DIPPR_EQ INTEGER,
CpS_DIPPR_A FLOAT,
CpS_DIPPR_B FLOAT,
CpS_DIPPR_C FLOAT,
CpS_DIPPR_D FLOAT,
CpS_DIPPR_E FLOAT,
CpS_DIPPR_tmin FLOAT,
CpS_DIPPR_tmax FLOAT,
CpL_DIPPR_EQ INTEGER,
CpL_DIPPR_A FLOAT,
CpL_DIPPR_B FLOAT,
CpL_DIPPR_C FLOAT,
CpL_DIPPR_D FLOAT,
CpL_DIPPR_E FLOAT,
CpL_DIPPR_tmin FLOAT,
CpL_DIPPR_tmax FLOAT,
CpG_DIPPR_EQ INTEGER,
CpG_DIPPR_A FLOAT,
CpG_DIPPR_B FLOAT,
CpG_DIPPR_C FLOAT,
CpG_DIPPR_D FLOAT,
CpG_DIPPR_E FLOAT,
CpG_DIPPR_tmin FLOAT,
CpG_DIPPR_tmax FLOAT,
muL_DIPPR_EQ INTEGER,
muL_DIPPR_A FLOAT,
muL_DIPPR_B FLOAT,
muL_DIPPR_C FLOAT,
muL_DIPPR_D FLOAT,
muL_DIPPR_E FLOAT,
muL_DIPPR_tmin FLOAT,
muL_DIPPR_tmax FLOAT,
muG_DIPPR_EQ INTEGER,
muG_DIPPR_A FLOAT,
muG_DIPPR_B FLOAT,
muG_DIPPR_C FLOAT,
muG_DIPPR_D FLOAT,
muG_DIPPR_E FLOAT,
muG_DIPPR_tmin FLOAT,
muG_DIPPR_tmax FLOAT,
ThcondL_DIPPR_EQ INTEGER,
ThcondL_DIPPR_A FLOAT,
ThcondL_DIPPR_B FLOAT,
ThcondL_DIPPR_C FLOAT,
ThcondL_DIPPR_D FLOAT,
ThcondL_DIPPR_E FLOAT,
ThcondL_DIPPR_tmin FLOAT,
ThcondL_DIPPR_tmax FLOAT,
ThcondG_DIPPR_EQ INTEGER,
ThcondG_DIPPR_A FLOAT,
ThcondG_DIPPR_B FLOAT,
ThcondG_DIPPR_C FLOAT,
ThcondG_DIPPR_D FLOAT,
ThcondG_DIPPR_E FLOAT,
ThcondG_DIPPR_tmin FLOAT,
ThcondG_DIPPR_tmax FLOAT,
tension_DIPPR_EQ INTEGER,
tension_DIPPR_A FLOAT,
tension_DIPPR_B FLOAT,
tension_DIPPR_C FLOAT,
tension_DIPPR_D FLOAT,
tension_DIPPR_E FLOAT,
tension_DIPPR_tmin FLOAT,
tension_DIPPR_tmax FLOAT,
dipole FLOAT,
V_liq FLOAT,
Rackett FLOAT,
SG FLOAT,
f_acent FLOAT,
SolubilityParameter FLOAT,
watson FLOAT,
Stiehl FLOAT,
Tb FLOAT,
Tf FLOAT,
CAS TEXT,
alternateFormula TEXT,
UNIFAC TEXT,
Dm FLOAT,
Eps_k FLOAT,
UNIQUAC_area FLOAT,
UNIQUAC_volumen FLOAT,
f_acent_MSRK FLOAT,
Hf FLOAT,
Gf FLOAT,
volumen_wilson FLOAT,
NetHeating FLOAT,
GrossHeating FLOAT,
Synonyms TEXT,
volumen_caracteristico FLOAT,
calor_formacion_solido FLOAT,
energia_libre_solido FLOAT,
PolarParameter FLOAT,
smile TEXT,
antoine_to FLOAT,
antoine_n FLOAT,
antoine_E FLOAT,
antoine_F FLOAT,
wagner_a FLOAT,
wagner_b FLOAT,
wagner_c FLOAT,
wagner_d FLOAT)
""")
conn.commit()
conn.close()
