Merge pull request #63 from brenda-br/Fix-35HEADmaster

Restructure Project and Deployment

1 files changed, 177 insertions, 0 deletions

diff --git a/src/main/python/utils/ComponentSelector.py b/src/main/python/utils/ComponentSelector.py
new file mode 100644
index 0000000..44a2696
--- /dev/null
+++ b/src/main/python/utils/ComponentSelector.py
@@ -0,0 +1,177 @@
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+import os, sys
+import pandas as pd
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parent)
+
+from Simulator.Databases.Databases import ChemsepDatabase
+ui_dialog,_ = loadUiType(parentPath+'/ui/utils/ComponentSelector.ui')
+
+
+#df = pd.read_csv("compoundsDatabase.csv")
+
+compound_selected = [] #list storing components that are selected inintialised as empty
+
+class ComponentSelector(QDialog,ui_dialog):
+    def __init__(self,parent=None):       
+        QDialog.__init__(self,parent)
+
+        self.setupUi(self)
+    
+        self.dict1=dict()#empty dictionary which will store the obj and its compound
+        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.lines+=x
+        #print(self.lines)   
+       
+        self.model = QStringListModel()
+        self.model.setStringList(self.lines)
+        
+        self.completer = QCompleter()
+        self.completer.setCaseSensitivity(Qt.CaseInsensitive)
+        self.completer.setModel(self.model)
+
+        # QCompleter completes the text written in lineedit
+        self.lineEdit.setCompleter(self.completer)
+        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.remove_items)
+        
+    def final_list(self,*list_name):
+        self.list_final=[]
+        #add multiple lists
+        for i in list_name:
+            self.list_final+=i
+        return (self.list_final)
+
+    def is_compound_selected(self):
+        if not compound_selected:
+            return False
+        else:
+            return True        
+  
+  #attrib:
+    #CAS fro CAS Number
+    #CompoundID for Name
+    #Smiles for Molecular Formula
+    #MolecularWeight for Molecular Weight
+
+#the below function will match the entered compound and get the database obj 
+        #of the corresponding database
+        
+    def get_object(self,component):
+        for ele in self.dict1:
+            values=self.dict1[ele]
+            for ind in values:
+                if ind ==component:
+                    return(ele)
+                
+                
+#the below finction removes the before added extra string from the cmpounds 
+    def get_original_name(self,component,removing_attrib):
+        self.temp_comp= component.replace(removing_attrib,'')
+        return(self.temp_comp)
+    
+    def compound_selection(self, *args):
+        if len(args) == 2:
+            self.comp = args[1]     #helpful when loading saved data
+        else:
+            self.comp = self.lineEdit.text()      #gets entered text
+        if self.comp in self.lines: #matches with the db
+            if self.comp not in compound_selected:
+                compound_selected.append(self.comp)  # appending compound in the list
+            self.obj=self.get_object(self.comp)   #obj will store the key of the dictionary
+            #and thus store the instance of the class to which  the component belongs
+            self.removing_attrib='(' + self.obj.name + ')' #getting the attribute that is to be removed
+            self.comp=self.get_original_name(self.comp,self.removing_attrib)
+            #getting only air, water etc from air chemsep etc
+
+            
+            self.prop_list=self.obj.get_comp_prop(self.comp) #getting prop of the comp
+            #obj is the required class  object
+           # self.creating_mo_file()
+            self.final_mo()
+            
+            self.lineEdit.clear()
+            #print(compound_selected)
+            
+            self.CAS=self.obj.get_value(self.comp,'CAS')
+            self.name=self.comp
+            self.molecular_formula=self.obj.get_value(self.comp, 'StructureFormula')
+            self.molecular_weight=self.obj.get_value(self.comp, '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.add_to_table(dict)
+        else:
+            self.show_error()
+
+    @staticmethod
+    def set_compounds(compounds):
+        # compound_selected = compounds
+        for i in compounds:
+            compound_selected.append(i)
+
+    def add_to_table(self,a):
+        try:
+            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 add_compounds_to_list(self,comp):       # which list?
+        self.item = QListWidgetItem()
+        self.item.setText(comp)
+        self.listWidget.addItem(self.item)
+
+    def remove_items(self):
+        try:
+            item = self.tableWidget.item(self.tableWidget.currentRow(),1).text() + '(chemsep)'
+            self.tableWidget.removeRow(self.tableWidget.currentRow())
+            compound_selected.remove(item)
+        except Exception as e:
+            print(e)
+
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Selected Compound is not Available")
+    
+    def cancel(self):
+        compound_selected.clear()
+        self.tableWidget.setRowCount(0)
+        self.reject()
+    
+    def get_compounds(self):
+        return compound_selected
+     
+    def final_mo(self):
+        self.f_mo=open(parentPath+'/Simulator/database.mo','w+')
+        self.f_mo.write('package database\n')
+        for line in self.prop_list:
+            self.f_mo.write(line)
+        self.f_mo.write('\n')   
+        self.f_mo.write('\nend database;')
+        self.f_mo.close()
+        
+    def accept(self):
+        #self.parent().container.update_compounds()
+        return super().accept()
+        
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