diff options
Diffstat (limited to 'ComponentSelector.py')
| -rw-r--r-- | ComponentSelector.py | 70 |
1 files changed, 35 insertions, 35 deletions
diff --git a/ComponentSelector.py b/ComponentSelector.py index 4860c4c..64ca167 100644 --- a/ComponentSelector.py +++ b/ComponentSelector.py @@ -17,14 +17,14 @@ class ComponentSelector(QDialog,ui_dialog): self.setupUi(self) - self.Dict1=dict()#empty dictionary which will store the obj and its compound + self.dict1=dict()#empty dictionary which will store the obj and its compound #self.DB1=#instance of Database class in Database.py module self.instance=[ChemsepDatabase()] #list of all the instances self.lines=[] for i in self.instance: x=i.get_comp_name_list() - self.Dict1[i]=x + self.dict1[i]=x self.lines+=x print(self.lines) @@ -32,7 +32,7 @@ class ComponentSelector(QDialog,ui_dialog): #self.DB1_list=self.DB1.get_comp_name_list() #storingchemsep #database compound list in DB1_list - #self.Dict1[self.DB1]=self.DB1_list #storing the list as a value and the db as key in dictionary + #self.dict1[self.DB1]=self.DB1_list #storing the list as a value and the db as key in dictionary #self.lines=self.DB1_list #combined list of all the edited compounds self.model = QStringListModel() @@ -45,11 +45,11 @@ class ComponentSelector(QDialog,ui_dialog): #QCompleter completes the text written in lineedit self.lineEdit.setCompleter(self.completer) - self.compoundSelectButton.clicked.connect(self.compoundSelection) + self.compoundSelectButton.clicked.connect(self.compound_selection) self.compoundSelectButton.setAutoDefault(False) self.pushButton.clicked.connect(self.accept) self.pushButton_2.clicked.connect(self.cancel) - self.pushButton_3.clicked.connect(self.removeItems) + self.pushButton_3.clicked.connect(self.remove_items) def final_list(self,*list_name): self.list_final=[] @@ -58,7 +58,7 @@ class ComponentSelector(QDialog,ui_dialog): self.list_final+=i return (self.list_final) - def isCompSelected(self): + def is_compound_selected(self): if not compound_selected: return False else: @@ -74,8 +74,8 @@ class ComponentSelector(QDialog,ui_dialog): #of the corresponding database def get_object(self,component): - for ele in self.Dict1: - values=self.Dict1[ele] + for ele in self.dict1: + values=self.dict1[ele] for ind in values: if ind ==component: return(ele) @@ -86,10 +86,7 @@ class ComponentSelector(QDialog,ui_dialog): self.temp_comp= component.replace(removing_attrib,'') return(self.temp_comp) - - - def compoundSelection(self): - + def compound_selection(self): self.comp = self.lineEdit.text() #gets entered text if self.comp in self.lines: #matches with the db self.obj=self.get_object(self.comp) #obj will store the key of the dictionary @@ -108,49 +105,52 @@ class ComponentSelector(QDialog,ui_dialog): print(compound_selected) self.CAS=self.obj.get_value(self.comp,'CAS') - self.Name=self.comp - self.MolecularFormula=self.obj.get_value(self.comp,'Smiles') - self.MolecularWeight=self.obj.get_value(self.comp,'MolecularWeight') + self.name=self.comp + self.molecular_formula=self.obj.get_value(self.comp,'Smiles') + self.molecular_weight=self.obj.get_value(self.comp,'MolecularWeight') - Dict={'CAS':self.CAS,'Name':self.Name,'Molecular Formula':self.MolecularFormula,'Molecular Weight':self.MolecularWeight} + dict={'CAS':self.CAS,'Name':self.name,'Molecular Formula':self.molecular_formula,'Molecular Weight':self.molecular_weight} #converted everything to a dictionary which will be passes to addtable #function as a parameter. - print(Dict) - self.addToTable(Dict) + print(dict) + self.add_to_table(dict) else: - self.Show_Error() + self.show_error() @staticmethod - def setCompounds(compounds): + def set_compounds(compounds): #compound_selected = compounds for i in compounds: compound_selected.append(i) - def addToTable(self,a): + def add_to_table(self,a): try: - rowPosition = self.tableWidget.rowCount() - self.tableWidget.insertRow(rowPosition) - self.tableWidget.setItem(rowPosition , 0, QTableWidgetItem(str(a['CAS']))) - self.tableWidget.setItem(rowPosition , 1, QTableWidgetItem(str(a['Name']))) - self.tableWidget.setItem(rowPosition , 2, QTableWidgetItem(str(a['Molecular Formula']))) - self.tableWidget.setItem(rowPosition , 3, QTableWidgetItem(str(a['Molecular Weight']))) + row_position = self.tableWidget.rowCount() + self.tableWidget.insertRow(row_position) + self.tableWidget.setItem(row_position , 0, QTableWidgetItem(str(a['CAS']))) + self.tableWidget.setItem(row_position , 1, QTableWidgetItem(str(a['Name']))) + self.tableWidget.setItem(row_position , 2, QTableWidgetItem(str(a['Molecular Formula']))) + self.tableWidget.setItem(row_position , 3, QTableWidgetItem(str(a['Molecular Weight']))) except Exception as e: exc_type, exc_obj, exc_tb = sys.exc_info() fname = os.path.split(exc_tb.tb_frame.f_code.co_filename)[1] print(exc_type, fname, exc_tb.tb_lineno) - def addCompToList(self,comp): # which list? + def add_compounds_to_list(self,comp): # which list? self.item = QListWidgetItem() self.item.setText(comp) self.listWidget.addItem(self.item) - def removeItems(self): - item = self.tableWidget.item(self.tableWidget.currentRow(),1).text() - self.tableWidget.removeRow(self.tableWidget.currentRow()) - - compound_selected.remove(item) + def remove_items(self): + try: + item = self.tableWidget.item(self.tableWidget.currentRow(),1).text() + self.tableWidget.removeRow(self.tableWidget.currentRow()) + + compound_selected.remove(item) + except Exception as e: + print(e) - def Show_Error(self): + def show_error(self): QMessageBox.about(self, 'Important', "Selected Compound is not Available") def cancel(self): @@ -158,7 +158,7 @@ class ComponentSelector(QDialog,ui_dialog): self.tableWidget.setRowCount(0) self.reject() - def getComp(self): + def get_compounds(self): return compound_selected def final_mo(self): |