From 5efb06e67d46b5e86a425d541d396595800148cb Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?L=C3=A9o=20Gaspard?= Date: Thu, 9 May 2019 14:23:29 +0200 Subject: [PATCH] Change the error messages --- crystal_met.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/crystal_met.py b/crystal_met.py index 64f996d..f4933ab 100644 --- a/crystal_met.py +++ b/crystal_met.py @@ -439,7 +439,7 @@ def symmetry(coord,atoms,charges, operations): #Find symmetry elements in the co toDel.append(index) elif da < distance(t,b) and distance(t,b) < DA: print("Error : This atom should not be there",distance(t,d),t,d,a,charges[index]) - print("Are you sure about the xOz symmetry operation ?") + print("Are you sure about the yOz symmetry operation ?") break if 'C2z' in operations: if distance(t,c) <= da: @@ -450,7 +450,7 @@ def symmetry(coord,atoms,charges, operations): #Find symmetry elements in the co toDel.append(index) elif da < distance(t,c) and distance(t,c) < DA: print("Error : This atom should not be there",distance(t,d),t,d,a,charges[index]) - print("Are you sure about the xOz symmetry operation ?") + print("Are you sure about the C2z symmetry operation ?") break if 'xOy' in operations: if distance(t,e) <= da: @@ -461,7 +461,7 @@ def symmetry(coord,atoms,charges, operations): #Find symmetry elements in the co toDel.append(index) elif da < distance(t,e) and distance(t,e) < DA: print("Error : This atom should not be there",distance(t,d),t,d,a,charges[index]) - print("Are you sure about the xOz symmetry operation ?") + print("Are you sure about the xOy symmetry operation ?") break if 'C2y' in operations: if distance(t,f) <= da: @@ -472,7 +472,7 @@ def symmetry(coord,atoms,charges, operations): #Find symmetry elements in the co toDel.append(index) elif da < distance(t,f) and distance(t,f) < DA: print("Error : This atom should not be there",distance(t,d),t,d,a,charges[index]) - print("Are you sure about the xOz symmetry operation ?") + print("Are you sure about the C2y symmetry operation ?") break if 'C2x' in operations: if distance(t,g) <= da: @@ -483,7 +483,7 @@ def symmetry(coord,atoms,charges, operations): #Find symmetry elements in the co toDel.append(index) elif da < distance(t,g) and distance(t,g) < DA: print("Error : This atom should not be there",distance(t,d),t,d,a,charges[index]) - print("Are you sure about the xOz symmetry operation ?") + print("Are you sure about the C2x symmetry operation ?") break if 'i' in operations: if distance(t,h) <= da: @@ -494,7 +494,7 @@ def symmetry(coord,atoms,charges, operations): #Find symmetry elements in the co toDel.append(index) elif da < distance(t,h) and distance(t,h) < DA: print("Error : This atom should not be there",distance(t,d),t,d,a,charges[index]) - print("Are you sure about the xOz symmetry operation ?") + print("Are you sure about the i symmetry operation ?") break now = datetime.datetime.now() printProgressBar(start,now,progress,total,prefix='Treating Symmetry',length=50,decimals=3)