Added normailizing feature, and enhanced readability

9 files changed, 114 insertions, 37 deletions

diff --git a/.gitignore b/.gitignore
new file mode 100644
index 0000000..b0a2e7b
--- /dev/null
+++ b/.gitignore
@@ -0,0 +1,5 @@
+OMChem/__pycache__/*
+__pycache__/*
+Simulator/Flowsheet*
+Simulator/simulateEQN.mos
+.vscode/settings.json
diff --git a/OMChem/Flowsheet.py b/OMChem/Flowsheet.py
index 35c6d0a..cfd9bae 100644
--- a/OMChem/Flowsheet.py
+++ b/OMChem/Flowsheet.py
@@ -14,9 +14,9 @@ class Flowsheet():
 		self.compounds = []
 		self.interface = ''
 		self.omc_path = None
-		self.curr_path = os.getcwd()
-		self.sim_dir_path = os.path.join(self.curr_path, self.sim_name)
-		self.Flomo_path = os.path.join(self.sim_dir_path,'Flowsheet.mo')
+		self.curr_path = os.getcwd()		# Chemical-Simulator-GUI
+		self.sim_dir_path = os.path.join(self.curr_path, self.sim_name) # Chemical-Simulator-GUI/Simulator
+		self.Flomo_path = os.path.join(self.sim_dir_path,'Flowsheet.mo') 
 		self.eqn_mos_path = os.path.join(self.sim_dir_path,'simulateEQN.mos')
 		self.sm_mos_path = os.path.join(self.sim_dir_path,'simulateSM.mos')
 		self.resdata = []
@@ -37,15 +37,15 @@ class Flowsheet():
 		    raise
 
 	def add_UnitOpn(self,unitop,flag):
-                f=(unitop,flag)
-                self.UnitOpn.append(f)
+		f=(unitop,flag)
+		self.UnitOpn.append(f)
+
 	def remove_UnitOpn(self,unitop):
 		self.UnitOpn.remove(unitop)
 
 	def add_comp_list(self,comp):
 		self.compounds = comp
 	
-
 	def send_for_simulationEqn(self):
 		self.resdata = []
 		self.omc_path = self.get_omc_path()
@@ -263,8 +263,6 @@ class Flowsheet():
 		self.send_for_simulationEqn()
 
 	
-
-
 	def simulateSM(self,ip,op):
 		self.sim_method = 'SM'
 		self.data = []
diff --git a/OMChem/MatStm.py b/OMChem/MatStm.py
index 6a3d814..f27b3da 100644
--- a/OMChem/MatStm.py
+++ b/OMChem/MatStm.py
@@ -111,6 +111,7 @@ class MatStm():
 
     def modesList(self):
         return ["PT","PH","PVF","TVF","PS"]   
+        
     def paramgetter(self,mode):
         dict = {}
         if(mode=="PT"):
diff --git a/component_selector.py b/component_selector.py
index 3be0f0f..03c0863 100644
--- a/component_selector.py
+++ b/component_selector.py
@@ -70,7 +70,7 @@ class componentSelector(QDialog,ui_dialog):
             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):
+    def addCompToList(self,comp):       # which list?
         self.item = QListWidgetItem()
         self.item.setText(comp)
         self.listWidget.addItem(self.item)
@@ -80,8 +80,10 @@ class componentSelector(QDialog,ui_dialog):
         self.tableWidget.removeRow(self.tableWidget.currentRow())
         
         compound_selected.remove(item)	
+
     def Show_Error(self):
         QMessageBox.about(self, 'Important', "Selected Compound is not Available")
+    
     def cancel(self):
         compound_selected.clear()
         self.tableWidget.setRowCount(0)
diff --git a/container.py b/container.py
index 91d4833..89fb897 100644
--- a/container.py
+++ b/container.py
@@ -30,6 +30,7 @@ class Container():
     def updateConn(self,key,value):
         self.conn[key].append(value)
         self.msg.append("<span style=\"color:blue\">["+str(self.currentTime())+"]<b> "+key.name+" </b> output is connected to input of<b> "+value.name +" </b></span>")
+        
     def addUnitOp(self,obj):
         if(obj in self.unitOp):
             pass
@@ -41,6 +42,7 @@ class Container():
         for i in self.unitOp:
             if(i.name==name):
                 return i
+                
     def addCompounds(self,comp):
         self.compounds = comp
 
diff --git a/dockWidget.py b/dockWidget.py
index a4956c5..a7325e4 100644
--- a/dockWidget.py
+++ b/dockWidget.py
@@ -31,7 +31,7 @@ class dockWidget(QDockWidget,ui_dialog):
         modesList = self.obj.modesList()
         if(modesList):
             for j in modesList:
-                    self.comboBox.addItem(str(j))
+                self.comboBox.addItem(str(j))
             self.modeSelection()
         else:
             self.inputdict= {}
@@ -64,29 +64,29 @@ class dockWidget(QDockWidget,ui_dialog):
                     self.lines = ["Total","Partial"]
                     for j in self.lines:
                         combo.addItem(str(j))
-                    self.formLayout.addRow(QLabel("Condensor Type :"+":"),combo )
+                    self.formLayout.addRow(QLabel("Condensor Type :"+":"),combo)
                     self.inputdict[i] = combo
                 elif(i=="CompMolFrac"):
-                    print("cmfnjkmnjkmnjkm")
                     noc = len(compound_selected)
                     print(noc)
                     self.compmolfraclist.clear()
                     for j in range(noc):
                         l = QLineEdit()    
                         self.inputdict[i] = "compmolfrac"                                                  
-                        self.formLayout.addRow(QLabel(str(compound_selected[j])+" Fraction"+":"),l )
-                        
+                        self.formLayout.addRow(QLabel(str(compound_selected[j])+":"),l )
                         self.compmolfraclist.append(l)
                 else:
-                    print("elseloopo")
+                    print("elseloop")
                     l = QLineEdit()                                                      
                     self.formLayout.addRow(QLabel(i+":"),l )
                     self.inputdict[i] = l
             
         except Exception as e:
             print(e)
+
     def Show_Error(self):
         QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
     def param(self):
         try:
             self.dict={}
@@ -105,13 +105,21 @@ class dockWidget(QDockWidget,ui_dialog):
                         break
                 elif(i =="CompMolFrac"):
                     l=[]
+                    mf = []
+                    total_moles = 0
                     for mol_frac in self.compmolfraclist:
                         if (mol_frac.text()):
                             l.append(mol_frac.text())
+                            total_moles += float(l[-1])
                         else:
                             self.Show_Error()
                             break
-                    self.dict[i] = ",".join(l)
+                    for c in range(len(compound_selected)):
+                        mf.append(str(float(l[c])/total_moles))
+                        self.compmolfraclist[c].setText(mf[-1])
+                        # self.formLayout.addRow(QLabel(str(compound_selected[c])+" Mole Fraction: "+str(float(l[c])/total_moles)))
+                    self.dict[i] = ",".join(mf)
+                    # self.update()
                 else:
                     if (self.inputdict[i].text()):
                         self.dict[i] = self.inputdict[i].text()
@@ -122,6 +130,7 @@ class dockWidget(QDockWidget,ui_dialog):
             self.obj.paramsetter(self.dict)
             print(self.dict)
             self.hide()
+            
         except Exception as e:
             print(e)
 
diff --git a/main.ui b/main.ui
index 24d25d6..378d376 100644
--- a/main.ui
+++ b/main.ui
@@ -148,7 +148,7 @@
      <x>0</x>
      <y>0</y>
      <width>1068</width>
-     <height>21</height>
+     <height>26</height>
     </rect>
    </property>
    <widget class="QMenu" name="menuFile">
@@ -161,6 +161,8 @@
     <property name="title">
      <string>Edit</string>
     </property>
+    <addaction name="actionUndo_2"/>
+    <addaction name="actionRedo"/>
    </widget>
    <widget class="QMenu" name="menuView">
     <property name="title">
@@ -254,8 +256,8 @@
          <rect>
           <x>0</x>
           <y>0</y>
-          <width>221</width>
-          <height>956</height>
+          <width>222</width>
+          <height>978</height>
          </rect>
         </property>
         <layout class="QVBoxLayout" name="verticalLayout_5">
@@ -1182,6 +1184,21 @@
     <string>save</string>
    </property>
   </action>
+  <action name="actionUndo">
+   <property name="text">
+    <string>Undo</string>
+   </property>
+  </action>
+  <action name="actionUndo_2">
+   <property name="text">
+    <string>Undo</string>
+   </property>
+  </action>
+  <action name="actionRedo">
+   <property name="text">
+    <string>Redo</string>
+   </property>
+  </action>
  </widget>
  <resources/>
  <connections/>
diff --git a/mainApp.py b/mainApp.py
index 9869621..97578c8 100644
--- a/mainApp.py
+++ b/mainApp.py
@@ -13,7 +13,7 @@ from PyQt5.QtWidgets import *
 from PyQt5.QtGui import QTextDocument ,QTextCursor ,QTextCharFormat ,QFont ,QPixmap
 from PyQt5.uic import loadUiType
 from PyQt5.QtCore import Qt
-from PyQt5.QtWidgets import QGraphicsProxyWidget, QGraphicsObject, QGraphicsEllipseItem ,QGraphicsPixmapItem,QApplication, QGraphicsView, QGraphicsScene, QHBoxLayout, QWidget, QLabel
+from PyQt5.QtWidgets import QGraphicsProxyWidget, QGraphicsObject, QGraphicsEllipseItem ,QGraphicsPixmapItem,QApplication, QGraphicsView, QGraphicsScene, QHBoxLayout, QWidget, QLabel, QUndoStack
 from PyQt5.QtGui import QBrush ,QTransform ,QMouseEvent
 import PyQt5.QtGui as QtGui
 import PyQt5.QtCore as QtCore
@@ -25,41 +25,58 @@ from resDockWidget import resdockWidget
 from helper import helperFunc
 import datetime
 from container import Container
+
 ui,_ = loadUiType('main.ui')
-#comp_dict is a dictionary in which keys are the type of component and value is a list [counter_of_that_particular_type ,Number of ip,Number of op]
+
+# comp_dict is a dictionary in which keys are the type of component and value is a list [counter_of_that_particular_type ,Number of ip,Number of op]
 comp_dict ={'MatStm':[1,1,1],'EngStm':[1,1,1],'Mixer':[1,4,1],'Splitter':[1,1,4],'Flash':[1,1,2],'Heater':[1,1,1],'Valve':[1,1,1],'Cooler':[1,1,1],'CompSep':[1,1,2],'Pump':[1,1,1],'AdiaComp':[1,1,1],'AdiaExp':[1,1,1],'DistCol':[1,2,2],'ShortCol':[1,1,2]}
 
 '''
     MainApp class is responsible for all the main App Ui operations
 '''
 class MainApp(QMainWindow,ui):
+    '''
+        Initializing the application
+    '''
     def __init__(self):
         QMainWindow.__init__(self)
+        
+        # Loading and setting up style sheet
         self.setupUi(self)
         style = open('light.css','r')
         style = style.read()
+        self.setStyleSheet(style)
         
+        # Initializing attributes
         self.zoomcount = 0
-        self.Container = Container(self.textBrowser)
-        self.setStyleSheet(style)
-        self.comp =componentSelector(self)
+
+        # Creating instances of classes for the main app
+        self.Container = Container(self.textBrowser)        
+        self.comp = componentSelector(self)
+
+        # Setting up interactive canvas        
         self.scene = QGraphicsScene()
         self.scene.setItemIndexMethod(QGraphicsScene.BspTreeIndex)
         self.graphicsView.setScene(self.scene)
         self.graphicsView.setMouseTracking(True)
-        self.comp.show()
+        self.graphicsView.keyPressEvent=self.deleteCall
         self.setDockNestingEnabled(True)
         self.setCorner(Qt.BottomRightCorner, Qt.RightDockWidgetArea)
         self.setCorner(Qt.BottomLeftCorner, Qt.LeftDockWidgetArea)
         self.addDockWidget(Qt.BottomDockWidgetArea,self.dockWidget_2)
+        
+        # Setting up undo stack
+        # self.undoStack = QUndoStack(self)
+        
+        # Calling initialisation functions
         self.buttonHandler()
         self.menuBar()
-        self.graphicsView.keyPressEvent=self.deleteCall
+        self.comp.show()
         
 
     '''
         MenuBar function handels all the all the operations of 
-        menu bar like,new,zoom,comounds selector,Simulation options.
+        menu bar like new,zoom,comounds selector, simulation options.
     '''    
     def menuBar(self):
         self.actionSelect_compouns.triggered.connect(self.selectCompounds)
@@ -70,6 +87,8 @@ class MainApp(QMainWindow,ui):
         self.actionHelp.triggered.connect(self.help)
         self.actionSequential_mode.triggered.connect(partial(self.simulate,'SM'))
         self.actionEquation_oriented.triggered.connect(partial(self.simulate,'EQN'))
+        # self.actionUndo_2.triggered.connect(self.undoStack.undo)
+        # self.actionRedo.triggered.connect(self.undoStack.redo)
 
     '''
         Handles all the buttons of different components.
@@ -115,7 +134,7 @@ class MainApp(QMainWindow,ui):
         return time
 
     '''
-        Simulate function is responsible forthe simulation
+        Simulate function is responsible for the simulation
         of the designed flowsheet in a particular mode
         selected by the user.
     '''
@@ -127,7 +146,7 @@ class MainApp(QMainWindow,ui):
         self.res.show()
     
     '''
-        Resets the zoom level to default scalling
+        Resets the zoom level to default scaling
     '''
     def zoomReset(self):
         if(self.zoomcount>0):
@@ -152,14 +171,16 @@ class MainApp(QMainWindow,ui):
         self.zoomcount +=1
   
     '''
-        Instanciate a NodeItem object for selected type of
+        Instantiate a NodeItem object for selected type of
         component and added that on canvas/flowsheeting area.
     '''    
     def component(self,conntype):
         if(self.comp.isCompSelected()):
-            box=None
-            box = NodeItem(conntype,self.Container)
-            print(box)
+            # box=None
+            box = NodeItem(conntype,self.Container)     # Returns the unit operation with NodeItem, NodeSocket initialized
+            # print(box)
+            # addNodeItem = AddNodeItemCommand(self,box)
+            # self.undoStack.push(addNodeItem)
             self.scene.addItem(box)
             box.setPos(2500-30, 2500-30)
         else:
@@ -177,7 +198,7 @@ class MainApp(QMainWindow,ui):
         self.comp.show()
 
     '''
-        handels all the operations which will happen when delete button is called.
+        Handels all the operations which will happen when delete button is pressed.
     '''
     def deleteCall(self,event):
         try:
@@ -188,14 +209,17 @@ class MainApp(QMainWindow,ui):
             print(e)
 
     '''
-        deletes the selected item from the canvas and also the objects 
+        Deletes the selected item from the canvas and also the objects 
         created for that type.
     '''
     def delete(self,l):
+        # if isinstance(l,NodeItem):
+            # l = [l]
         for item in l:
             self.scene.removeItem(item)
             if hasattr(item,'Input'):
                 for x in item.Input:
+
                     if x.newLine:
                         
                         self.scene.removeItem(x.newLine)
@@ -227,6 +251,20 @@ class MainApp(QMainWindow,ui):
                 self.textBrowser.append("<span style=\"color:blue\">["+str(self.currentTime())+"]<b> "+item.obj.name+" </b>is deleted .""</span>")
                 del item.obj
             del item
+
+# class AddNodeItemCommand(QUndoCommand):
+
+#     def __init__(self,mainApp,box):
+#         super(AddNodeItemCommand, self).__init__()
+#         self.mainApp = mainApp
+#         self.box = box
+
+#     def redo(self):
+#         self.mainApp.scene.addItem(self.box)
+#         self.box.setPos(2500-30, 2500-30)
+
+#     def undo(self):
+#         self.mainApp.delete(self.box)
         
 
 '''
@@ -274,6 +312,7 @@ class NodeLine(QtWidgets.QGraphicsPathItem):
         ctrl2_3 = QtCore.QPointF(midptx, self.pointB.y())
         path.cubicTo(ctrl1_3, ctrl2_3, self.pointB)
         self.setPath(path)
+
     def paint(self, painter, option, widget):
         painter.setPen(self.pen)
         painter.drawPath(self.path())
@@ -340,6 +379,7 @@ class NodeSocket(QtWidgets.QGraphicsItem):
         self.brush = QtGui.QBrush()
         self.brush.setStyle(QtCore.Qt.SolidPattern)
         self.brush.setColor(QtGui.QColor(180,20,90,255))
+        
         # Pen.
         self.pen = QtGui.QPen()
         self.pen.setStyle(QtCore.Qt.SolidLine)
@@ -480,7 +520,7 @@ class NodeItem(QtWidgets.QGraphicsItem):
         self.selPen.setWidth(2)
         self.selPen.setColor(QtGui.QColor(222,192,222))
  
-    def initUi(self):
+    def initUi(self):           # Should be rather named as initialize sockets
         self.Input , self.Output = self.initializeSockets(self.type)
     
     def shape(self):
@@ -526,6 +566,7 @@ class NodeItem(QtWidgets.QGraphicsItem):
             Input = [NodeSocket(QtCore.QRect(-2.5,(self.rect.height()*x/(self.nin+1))-1,4,4), self, 'in',self.container) for x in range(1,self.nin+1) ]
             Output = [NodeSocket(QtCore.QRect(self.rect.width()-2.5,(self.rect.height()*x/(self.nin+1))-1,4,4), self, 'op',self.container) for x in range(1,self.nop+1)]
             return Input,Output
+    
     def mouseMoveEvent(self, event):
         super(NodeItem, self).mouseMoveEvent(event)
         for output in self.Output:
@@ -536,6 +577,7 @@ class NodeItem(QtWidgets.QGraphicsItem):
             for line in input.inLines:
                 line.pointA = line.source.getCenter()
                 line.pointB = line.target.getCenter()
+    
     def mouseDoubleClickEvent(self, event):
         self.setPos(event.scenePos().x()-250,event.scenePos().y())
         self.dockWidget.show()
diff --git a/resDockWidget.py b/resDockWidget.py
index 5575cbd..df3e271 100644
--- a/resDockWidget.py
+++ b/resDockWidget.py
@@ -81,7 +81,8 @@ class resdockWidget(QDockWidget,ui_dialog):
 
     def resultTree(self):
         self.resultsCategory(self.comboBox.currentText())
-    def results(self):
+        
+    def results(self):              # Should be named as selecting object whose result is to be displayed
         self.nameType={}
         for i in self.Container.unitOp:
             #nameslist.append(i.name)