small fixes

Author: marcusbfs

.idea/workspace.xml

@@ -31,6 +31,7 @@ def ok_clicked(self):
         db.cursor.execute(query, (self.substance_id, self.subgroup_id, self.frequency))
         # db.db.commit()
         self.edit_db.loadUNIFACsubgroups()
+        self.edit_db.changes_made = True
         self.addSubgroupView.close()
 
     def cancel_clicked(self):

Sindri/Controllers/AddUNIFACsubgroupController.py

@@ -701,7 +701,7 @@ def getDewPointTemperature(self, y, P: float, tol=1e3 * DBL_EPSILON, kmax=100):
             raise NotImplementedError("gamma-phi not implemented")
 
     def getDewPointTemperature_UNIFAC(
-        self, y, P: float, tol: float = 1e3 * DBL_EPSILON, kmax: int = 1000
+        self, y, P: float, tol: float = 1e4 * DBL_EPSILON, kmax: int = 1000
     ):
         assert len(y) == self.n
         y = np.atleast_1d(y)
@@ -714,6 +714,7 @@ def getDewPointTemperature_UNIFAC(
         psat = self.getPsat(td)
         x = self.get_x_eq_12_10(y, gamma, psat, capphi, P)
         k = self.get_k_gamma_phi(gamma, psat, P, capphi)
+        x = x / np.sum(x)
 
         td2 = td
         f2 = np.sum(y / k) - 1.0
@@ -726,6 +727,7 @@ def getDewPointTemperature_UNIFAC(
         f1 = np.sum(y / k) - 1.0
 
         x = self.get_x_eq_12_10(y, gamma, psat, capphi, P)
+        x = x / np.sum(x)
 
         err = 100
         ite = 0
@@ -749,10 +751,10 @@ def getDewPointTemperature_UNIFAC(
             f1 = np.sum(y / k) - 1.0
 
         phivap = self.getPhiVap(y, P, td)
-        return y, td, phivap, gamma, k, ite
+        return x, td, phivap, gamma, k, ite
 
     def getDewPointTemperature_phi_phi(
-        self, y, P: float, tol: float = 1e3 * DBL_EPSILON, kmax: int = 1000
+        self, y, P: float, tol: float = 1e4 * DBL_EPSILON, kmax: int = 1000
     ):
         assert len(y) == self.n
         y = np.atleast_1d(y)

Sindri/EOSMixture.py

@@ -453,7 +453,6 @@ def deleteUNIFACsubgroup(self):
         current_row = self.tableWidget_UNIFACsubgroups.currentRow()
         if current_row < 0:
             return
-        self.changes_made = True
         try:
             subgroup_id = self.getCurrenteUNIFAC_subgroup_id()
             query = """delete from substance_unifac_subgroups 
@@ -462,12 +461,12 @@ def deleteUNIFACsubgroup(self):
             )
             db.cursor.execute(query)
             # db.db.commit() # todo implement rollback?
+            self.changes_made = True
             self.loadUNIFACsubgroups()
         except Exception as e:
             pass
 
     def addUNIFACsubgroup(self):
-        self.changes_made = True
         controller = AddUNIFACsubgroupController(self)
         try:
             controller.createView()