def __on_molecules_current_text_changed(self, *_args):
molecule = MoleculeMeta(self.molecules_current_molecule.currentText())
if not molecule.is_populated():
return
if self.molecule_info is not None:
for i in reversed(range(self.molecule_container.count())):
self.molecule_container.itemAt(i).widget().setParent(None)
self.molecule_info = MoleculeInfoWidget(self.molecules_current_molecule.currentText(), self)
self.molecule_container.addWidget(self.molecule_info)
def generate_availability_():
Config.data_folder = "__temp_data"
hapi.db_begin(Config.data_folder)
records = dict()
for molecule_id in range(0, 100):
molecule = MoleculeMeta(molecule_id)
if not molecule.is_populated():
continue
records[molecule.id] = check_availability(molecule)
with open(f"res/parameters/availability.json", "w+") as f:
f.write(json.dumps(records, indent=2, sort_keys=True))
print(records)
sys.exit(0)
class MoleculeInfoWidget(QWidget):
FIELDS = ['Formula', 'InChI', 'InChIKey', 'HITRANonline_ID', 'Aliases']
def __init__(self, molecule_name, parent):
QWidget.__init__(self, parent)
self.molecule = MoleculeMeta(molecule_name)
if not self.molecule.is_populated():
raise Exception("Don't make a molecule info widget with an invalid molecule")
self.fetch_widget: FetchWidget = FetchWidget.FETCH_WIDGET_INSTANCE
self.xsc_widget: CrossSectionFetchWidget = \
CrossSectionFetchWidget.CROSS_SECTION_FETCH_WIDGET_INSTANCE
self.main_gui = parent
self.parent = parent
self.setWindowIcon(program_icon())
def create_field(text):
field_name = text.lower()
label = QLabel(f'<b>{text}:</b>')
value = QLabel()
value.setTextInteractionFlags(Qt.TextSelectableByMouse)
label.setTextFormat(Qt.RichText)
value.setWordWrap(True)
value.setTextFormat(Qt.RichText)
self.__dict__[field_name + "_label"] = label
self.__dict__[field_name] = value
self.setObjectName('MoleculeInfoWidget')
self.name = \
QLabel(f"<span style='font-size: 16pt'><i><b>{self.molecule.name}</b></i></span>")
self.button_style = "padding: .1em .2em .1em .2em;"
self.get_xsc_button = QPushButton("Get cross-sections")
self.get_xsc_button.pressed.connect(self.__open_cross_sections)
self.get_xsc_button.setSizePolicy(QSizePolicy(QSizePolicy.Minimum, QSizePolicy.Minimum))
self.get_xsc_button.setStyleSheet(self.button_style)
self.get_lbl_button = QPushButton("Get line-by-line data")
self.get_lbl_button.pressed.connect(self.__open_line_by_line)
self.get_lbl_button.setSizePolicy(QSizePolicy(QSizePolicy.Minimum, QSizePolicy.Minimum))
self.get_lbl_button.setStyleSheet(self.button_style)
self.img = QWidget()
self.img.setSizePolicy(QSizePolicy(QSizePolicy.Fixed, QSizePolicy.Fixed))
if Config.high_dpi:
self.img.setFixedWidth(300)
self.img.setFixedHeight(300)
else:
self.img.setFixedWidth(400)
self.img.setFixedHeight(400)
# Have to call list because map is lazy
list(map(create_field, MoleculeInfoWidget.FIELDS))
self.aliases.setWordWrap(True)
self.form_layout = QFormLayout()
list(map(lambda x: self.form_layout.addRow(self.__dict__[x.lower() + '_label'],
self.__dict__[x.lower()]),
MoleculeInfoWidget.FIELDS))
self.button_container = QHBoxLayout()
if self.molecule.has_lbl_data:
self.button_container.addWidget(self.get_lbl_button)
if len(CrossSectionMeta(self.molecule.id).metas) > 0:
self.button_container.addWidget(self.get_xsc_button)
self.button_spacer = QSpacerItem(1, 1, QSizePolicy.Expanding, QSizePolicy.Preferred)
self.button_container.addSpacerItem(self.button_spacer)
self.img_layout = QVBoxLayout()
self.img_layout.addWidget(self.img)
self.img_layout.addSpacerItem(QSpacerItem(1, 1, QSizePolicy.Fixed, QSizePolicy.Expanding))
self.info_layout = QVBoxLayout()
self.info_layout.addWidget(self.name)
self.info_layout.addLayout(self.button_container)
self.info_layout.addLayout(self.form_layout)
self.info_layout.addSpacerItem(QSpacerItem(1, 1, QSizePolicy.Fixed, QSizePolicy.Expanding))
self.central_layout = QHBoxLayout()
self.central_layout.addLayout(self.img_layout)
self.central_layout.addSpacerItem(QSpacerItem(50, 1, QSizePolicy.Fixed, QSizePolicy.Fixed))
self.central_layout.addLayout(self.info_layout)
self.central_layout.addSpacerItem(
QSpacerItem(1, 1, QSizePolicy.Expanding, QSizePolicy.Expanding))
self.setLayout(self.central_layout)
if not Config.online:
self.get_xsc_button.setDisabled(True)
self.get_lbl_button.setDisabled(True)
formula = self.molecule.formula
if self.molecule.is_populated():
self.img.setAttribute(Qt.WA_StyledBackground)
self.img.setStyleSheet(
f'border-image: url("res/img/molecules/{formula}.gif") 0 0 0 0 stretch stretch;')
self.img.show()
try:
self.formula.setText(self.molecule.html)
self.hitranonline_id.setText(str(self.molecule.id))
self.inchi.setText(self.molecule.inchi)
self.inchikey.setText(self.molecule.inchikey)
alias_text = ''
for alias in self.molecule.aliases:
alias_text = f'{alias_text}<i>{alias.alias}</i><hr>'
self.aliases.setText(alias_text)
except Exception as e:
err_log(f'Encountered error \'{str(e)}\' - likely a malformed molecule json file')
self.adjustSize()
def __open_cross_sections(self, *_args):
self.xsc_widget.molecule.setCurrentText(self.molecule.name)
self.main_gui.tab_widget.setCurrentWidget(self.main_gui.cross_section_tab)
def __open_line_by_line(self, *_args):
self.fetch_widget.set_molecule_id(self.molecule.name)
self.main_gui.tab_widget.setCurrentWidget(self.main_gui.fetch_tab)