| 1 | # global |
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| 2 | import logging |
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| 3 | import functools |
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| 4 | from PyQt5 import QtCore |
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| 5 | from PyQt5 import QtGui |
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| 6 | from PyQt5 import QtWidgets |
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| 7 | |
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| 8 | from periodictable import formula as Formula |
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| 9 | |
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| 10 | from sas.qtgui.Utilities.GuiUtils import FormulaValidator |
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| 11 | from sas.qtgui.UI import main_resources_rc |
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| 12 | from sas.qtgui.Utilities.GuiUtils import HELP_DIRECTORY_LOCATION |
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| 13 | |
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| 14 | # Local UI |
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| 15 | from sas.qtgui.Calculators.UI.DensityPanel import Ui_DensityPanel |
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| 16 | |
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| 17 | from sas.qtgui.Utilities.GuiUtils import enum |
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| 18 | from sas.qtgui.Utilities.GuiUtils import formatNumber |
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| 19 | |
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| 20 | MODEL = enum( |
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| 21 | 'MOLECULAR_FORMULA', |
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| 22 | 'MOLAR_MASS', |
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| 23 | 'MOLAR_VOLUME', |
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| 24 | 'MASS_DENSITY', |
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| 25 | ) |
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| 26 | |
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| 27 | MODES = enum( |
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| 28 | 'VOLUME_TO_DENSITY', |
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| 29 | 'DENSITY_TO_VOLUME', |
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| 30 | ) |
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| 31 | |
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| 32 | def toMolarMass(formula): |
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| 33 | AVOGADRO = 6.02214129e23 |
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| 34 | |
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| 35 | try: |
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| 36 | f = Formula(str(formula)) |
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| 37 | return "%g" % (f.molecular_mass * AVOGADRO) |
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| 38 | except: |
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| 39 | return "" |
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| 40 | |
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| 41 | |
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| 42 | class DensityPanel(QtWidgets.QDialog): |
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| 43 | |
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| 44 | def __init__(self, parent=None): |
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| 45 | super(DensityPanel, self).__init__() |
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| 46 | |
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| 47 | self.mode = None |
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| 48 | self.manager = parent |
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| 49 | self.setupUi() |
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| 50 | self.setupModel() |
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| 51 | self.setupMapper() |
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| 52 | |
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| 53 | def setupUi(self): |
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| 54 | self.ui = Ui_DensityPanel() |
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| 55 | self.ui.setupUi(self) |
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| 56 | |
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| 57 | # no reason to have this widget resizable |
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| 58 | self.setFixedSize(self.minimumSizeHint()) |
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| 59 | |
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| 60 | # set validators |
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| 61 | #self.ui.editMolecularFormula.setValidator(FormulaValidator(self.ui.editMolecularFormula)) |
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| 62 | |
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| 63 | rx = QtCore.QRegExp("[+\-]?(?:0|[1-9]\d*)(?:\.\d*)?(?:[eE][+\-]?\d+)?") |
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| 64 | self.ui.editMolarVolume.setValidator(QtGui.QRegExpValidator(rx, self.ui.editMolarVolume)) |
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| 65 | self.ui.editMassDensity.setValidator(QtGui.QRegExpValidator(rx, self.ui.editMassDensity)) |
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| 66 | |
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| 67 | # signals |
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| 68 | self.ui.editMolarVolume.textEdited.connect(functools.partial(self.setMode, MODES.VOLUME_TO_DENSITY)) |
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| 69 | self.ui.editMassDensity.textEdited.connect(functools.partial(self.setMode, MODES.DENSITY_TO_VOLUME)) |
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| 70 | |
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| 71 | self.ui.buttonBox.button(QtWidgets.QDialogButtonBox.Reset).clicked.connect(self.modelReset) |
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| 72 | self.ui.buttonBox.button(QtWidgets.QDialogButtonBox.Help).clicked.connect(self.displayHelp) |
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| 73 | |
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| 74 | def setupModel(self): |
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| 75 | self.model = QtGui.QStandardItemModel(self) |
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| 76 | self.model.setItem(MODEL.MOLECULAR_FORMULA, QtGui.QStandardItem()) |
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| 77 | self.model.setItem(MODEL.MOLAR_MASS , QtGui.QStandardItem()) |
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| 78 | self.model.setItem(MODEL.MOLAR_VOLUME , QtGui.QStandardItem()) |
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| 79 | self.model.setItem(MODEL.MASS_DENSITY , QtGui.QStandardItem()) |
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| 80 | |
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| 81 | self.model.dataChanged.connect(self.dataChanged) |
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| 82 | |
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| 83 | self.modelReset() |
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| 84 | |
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| 85 | def setupMapper(self): |
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| 86 | self.mapper = QtWidgets.QDataWidgetMapper(self) |
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| 87 | self.mapper.setModel(self.model) |
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| 88 | self.mapper.setOrientation(QtCore.Qt.Vertical) |
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| 89 | |
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| 90 | self.mapper.addMapping(self.ui.editMolecularFormula, MODEL.MOLECULAR_FORMULA) |
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| 91 | self.mapper.addMapping(self.ui.editMolarMass , MODEL.MOLAR_MASS) |
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| 92 | self.mapper.addMapping(self.ui.editMolarVolume , MODEL.MOLAR_VOLUME) |
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| 93 | self.mapper.addMapping(self.ui.editMassDensity , MODEL.MASS_DENSITY) |
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| 94 | |
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| 95 | self.mapper.toFirst() |
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| 96 | |
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| 97 | def dataChanged(self, top, bottom): |
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| 98 | for index in range(top.row(), bottom.row() + 1): |
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| 99 | if index == MODEL.MOLECULAR_FORMULA: |
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| 100 | molarMass = toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text()) |
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| 101 | molarMass = formatNumber(molarMass, high=True) |
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| 102 | self.model.item(MODEL.MOLAR_MASS).setText(molarMass) |
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| 103 | |
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| 104 | if self.mode == MODES.VOLUME_TO_DENSITY: |
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| 105 | self._updateDensity() |
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| 106 | elif self.mode == MODES.DENSITY_TO_VOLUME: |
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| 107 | self._updateVolume() |
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| 108 | |
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| 109 | elif index == MODEL.MOLAR_VOLUME and self.mode == MODES.VOLUME_TO_DENSITY: |
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| 110 | self._updateDensity() |
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| 111 | |
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| 112 | elif index == MODEL.MASS_DENSITY and self.mode == MODES.DENSITY_TO_VOLUME: |
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| 113 | self._updateVolume() |
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| 114 | |
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| 115 | def setMode(self, mode): |
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| 116 | self.mode = mode |
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| 117 | |
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| 118 | def _updateDensity(self): |
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| 119 | try: |
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| 120 | molarMass = float(toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text())) |
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| 121 | molarVolume = float(self.model.item(MODEL.MOLAR_VOLUME).text()) |
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| 122 | |
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| 123 | molarDensity = molarMass / molarVolume |
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| 124 | molarDensity = formatNumber(molarDensity, high=True) |
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| 125 | self.model.item(MODEL.MASS_DENSITY).setText(str(molarDensity)) |
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| 126 | |
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| 127 | except (ArithmeticError, ValueError): |
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| 128 | self.model.item(MODEL.MASS_DENSITY).setText("") |
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| 129 | |
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| 130 | def _updateVolume(self): |
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| 131 | try: |
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| 132 | molarMass = float(toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text())) |
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| 133 | molarDensity = float(self.model.item(MODEL.MASS_DENSITY).text()) |
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| 134 | |
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| 135 | molarVolume = molarMass / molarDensity |
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| 136 | molarVolume = formatNumber(molarVolume, high=True) |
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| 137 | self.model.item(MODEL.MOLAR_VOLUME).setText(str(molarVolume)) |
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| 138 | |
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| 139 | except (ArithmeticError, ValueError): |
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| 140 | self.model.item(MODEL.MOLAR_VOLUME).setText("") |
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| 141 | |
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| 142 | def modelReset(self): |
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| 143 | try: |
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| 144 | self.setMode(None) |
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| 145 | self.model.item(MODEL.MOLECULAR_FORMULA).setText("H2O") |
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| 146 | self.model.item(MODEL.MOLAR_VOLUME ).setText("") |
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| 147 | self.model.item(MODEL.MASS_DENSITY ).setText("") |
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| 148 | finally: |
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| 149 | pass |
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| 150 | |
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| 151 | def displayHelp(self): |
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| 152 | location = "/user/qtgui/Calculators/density_calculator_help.html" |
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| 153 | self.manager.showHelp(location) |
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| 154 | |
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| 155 | |
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