Source code for sas.qtgui.Calculators.DensityPanel
# global
import logging
import functools
from PyQt5 import QtCore
from PyQt5 import QtGui
from PyQt5 import QtWidgets
from periodictable import formula as Formula
from sas.qtgui.Utilities.GuiUtils import FormulaValidator
from sas.qtgui.UI import main_resources_rc
from sas.qtgui.Utilities.GuiUtils import HELP_DIRECTORY_LOCATION
# Local UI
from sas.qtgui.Calculators.UI.DensityPanel import Ui_DensityPanel
from sas.qtgui.Utilities.GuiUtils import enum
from sas.qtgui.Utilities.GuiUtils import formatNumber
MODEL = enum(
'MOLECULAR_FORMULA',
'MOLAR_MASS',
'MOLAR_VOLUME',
'MASS_DENSITY',
)
MODES = enum(
'VOLUME_TO_DENSITY',
'DENSITY_TO_VOLUME',
)
[docs]def toMolarMass(formula):
AVOGADRO = 6.02214129e23
try:
f = Formula(str(formula))
return "%g" % (f.molecular_mass * AVOGADRO)
except:
return ""
[docs]class DensityPanel(QtWidgets.QDialog):
[docs] def __init__(self, parent=None):
super(DensityPanel, self).__init__()
self.mode = None
self.manager = parent
self.setupUi()
# disable the context help icon
self.setWindowFlags(self.windowFlags() & ~QtCore.Qt.WindowContextHelpButtonHint)
self.setupModel()
self.setupMapper()
[docs] def setupUi(self):
self.ui = Ui_DensityPanel()
self.ui.setupUi(self)
#self.setFixedSize(self.minimumSizeHint())
self.resize(self.minimumSizeHint())
# set validators
#self.ui.editMolecularFormula.setValidator(FormulaValidator(self.ui.editMolecularFormula))
rx = QtCore.QRegExp("[+\-]?(?:0|[1-9]\d*)(?:\.\d*)?(?:[eE][+\-]?\d+)?")
self.ui.editMolarVolume.setValidator(QtGui.QRegExpValidator(rx, self.ui.editMolarVolume))
self.ui.editMassDensity.setValidator(QtGui.QRegExpValidator(rx, self.ui.editMassDensity))
# signals
self.ui.editMolarVolume.textEdited.connect(functools.partial(self.setMode, MODES.VOLUME_TO_DENSITY))
self.ui.editMassDensity.textEdited.connect(functools.partial(self.setMode, MODES.DENSITY_TO_VOLUME))
self.ui.buttonBox.button(QtWidgets.QDialogButtonBox.Reset).clicked.connect(self.modelReset)
self.ui.buttonBox.button(QtWidgets.QDialogButtonBox.Help).clicked.connect(self.displayHelp)
[docs] def setupModel(self):
self.model = QtGui.QStandardItemModel(self)
self.model.setItem(MODEL.MOLECULAR_FORMULA, QtGui.QStandardItem())
self.model.setItem(MODEL.MOLAR_MASS , QtGui.QStandardItem())
self.model.setItem(MODEL.MOLAR_VOLUME , QtGui.QStandardItem())
self.model.setItem(MODEL.MASS_DENSITY , QtGui.QStandardItem())
self.model.dataChanged.connect(self.dataChanged)
self.ui.editMolarVolume.textEdited.connect(self.volumeChanged)
self.ui.editMassDensity.textEdited.connect(self.massChanged)
self.ui.editMolecularFormula.textEdited.connect(self.formulaChanged)
self.modelReset()
[docs] def setupMapper(self):
self.mapper = QtWidgets.QDataWidgetMapper(self)
self.mapper.setModel(self.model)
self.mapper.setOrientation(QtCore.Qt.Vertical)
self.mapper.addMapping(self.ui.editMolecularFormula, MODEL.MOLECULAR_FORMULA)
self.mapper.addMapping(self.ui.editMolarMass , MODEL.MOLAR_MASS)
self.mapper.addMapping(self.ui.editMolarVolume , MODEL.MOLAR_VOLUME)
self.mapper.addMapping(self.ui.editMassDensity , MODEL.MASS_DENSITY)
self.mapper.toFirst()
[docs] def dataChanged(self, top, bottom):
for index in range(top.row(), bottom.row() + 1):
if index == MODEL.MOLECULAR_FORMULA:
molarMass = toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text())
molarMass = formatNumber(molarMass, high=True)
self.model.item(MODEL.MOLAR_MASS).setText(molarMass)
if self.mode == MODES.VOLUME_TO_DENSITY:
self._updateDensity()
elif self.mode == MODES.DENSITY_TO_VOLUME:
self._updateVolume()
elif index == MODEL.MOLAR_VOLUME and self.mode == MODES.VOLUME_TO_DENSITY:
self._updateDensity()
elif index == MODEL.MASS_DENSITY and self.mode == MODES.DENSITY_TO_VOLUME:
self._updateVolume()
[docs] def volumeChanged(self, current_text):
try:
molarMass = float(toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text()))
molarVolume = float(current_text)
molarDensity = molarMass / molarVolume
molarDensity = formatNumber(molarDensity, high=True)
self.model.item(MODEL.MASS_DENSITY).setText(str(molarDensity))
except (ArithmeticError, ValueError):
self.model.item(MODEL.MASS_DENSITY).setText("")
[docs] def massChanged(self, current_text):
try:
molarMass = float(toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text()))
molarDensity = float(current_text)
molarVolume = molarMass / molarDensity
molarVolume = formatNumber(molarVolume, high=True)
self.model.item(MODEL.MOLAR_VOLUME).setText(str(molarVolume))
except (ArithmeticError, ValueError):
self.model.item(MODEL.MOLAR_VOLUME).setText("")
[docs] def setMode(self, mode):
self.mode = mode
[docs] def _updateDensity(self):
try:
molarMass = float(toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text()))
molarVolume = float(self.model.item(MODEL.MOLAR_VOLUME).text())
molarDensity = molarMass / molarVolume
molarDensity = formatNumber(molarDensity, high=True)
self.model.item(MODEL.MASS_DENSITY).setText(str(molarDensity))
except (ArithmeticError, ValueError):
self.model.item(MODEL.MASS_DENSITY).setText("")
[docs] def _updateVolume(self):
try:
molarMass = float(toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text()))
molarDensity = float(self.model.item(MODEL.MASS_DENSITY).text())
molarVolume = molarMass / molarDensity
molarVolume = formatNumber(molarVolume, high=True)
self.model.item(MODEL.MOLAR_VOLUME).setText(str(molarVolume))
except (ArithmeticError, ValueError):
self.model.item(MODEL.MOLAR_VOLUME).setText("")
[docs] def modelReset(self):
try:
self.setMode(None)
self.model.item(MODEL.MOLECULAR_FORMULA).setText("H2O")
self.model.item(MODEL.MOLAR_VOLUME ).setText("")
self.model.item(MODEL.MASS_DENSITY ).setText("")
finally:
pass
[docs] def displayHelp(self):
location = "/user/qtgui/Calculators/density_calculator_help.html"
self.manager.showHelp(location)