Author: bugman
Date: Thu Nov 2 09:19:24 2006
New Revision: 2728
URL: http://svn.gna.org/viewcvs/relax?rev=2728&view=rev
Log:
Standardised the word 'centre'.
Previously the two spellings 'center' and 'centre' were being used. This
change will have zero
effects on program usage.
Modified:
branches/tensor_pdb/generic_fns/pdb.py
branches/tensor_pdb/relax
Modified: branches/tensor_pdb/generic_fns/pdb.py
URL:
http://svn.gna.org/viewcvs/relax/branches/tensor_pdb/generic_fns/pdb.py?rev=2728&r1=2727&r2=2728&view=diff
==============================================================================
--- branches/tensor_pdb/generic_fns/pdb.py (original)
+++ branches/tensor_pdb/generic_fns/pdb.py Thu Nov 2 09:19:24 2006
@@ -139,13 +139,13 @@
raise RelaxError, "The mass of the element " + `element` + " has
not yet been programmed into relax."
- def center_of_mass(self):
- """Calculate and return the center of mass of the structure."""
+ def centre_of_mass(self):
+ """Calculate and return the centre of mass of the structure."""
# Print out.
- print "Calculating the center of mass."
-
- # Initialise the center of mass.
+ print "Calculating the centre of mass."
+
+ # Initialise the centre of mass.
R = zeros(3, Float64)
# Initialise the total mass.
@@ -196,7 +196,7 @@
print " Total mass: M = " + `M`
print " Center of mass: R = " + `R`
- # Return the center of mass.
+ # Return the centre of mass.
return R
@@ -247,8 +247,8 @@
# Center of mass.
#################
- # Calculate the center of mass.
- R = self.center_of_mass()
+ # Calculate the centre of mass.
+ R = self.centre_of_mass()
# Add the central atom.
self.atom_add(atom_id='R', element='C', pos=R)
@@ -268,11 +268,11 @@
# The negative Dpar vector.
Dpar_vect_neg = -Dpar_vect
- # Position of both vectors relative to the center of mass.
+ # Position of both vectors relative to the centre of mass.
Dpar_vect = R + Dpar_vect
Dpar_vect_neg = R + Dpar_vect_neg
- # Add the atom and connect it to the center of mass.
+ # Add the atom and connect it to the centre of mass.
self.atom_add(atom_id='Dpar', element='C', pos=Dpar_vect)
self.atom_add(atom_id='Dpar_neg', element='C', pos=Dpar_vect_neg)
self.atom_connect(atom_id='Dpar', bonded_id='R')
@@ -297,7 +297,7 @@
Dy_vect_neg = -Dy_vect
Dz_vect_neg = -Dz_vect
- # Positions relative to the center of mass.
+ # Positions relative to the centre of mass.
Dx_vect = R + Dx_vect
Dy_vect = R + Dy_vect
Dz_vect = R + Dz_vect
@@ -305,7 +305,7 @@
Dy_vect_neg = R + Dy_vect_neg
Dz_vect_neg = R + Dz_vect_neg
- # Add the atoms and connect them to the center of mass.
+ # Add the atoms and connect them to the centre of mass.
self.atom_add(atom_id='Dx', element='C', pos=Dx_vect)
self.atom_add(atom_id='Dy', element='C', pos=Dy_vect)
self.atom_add(atom_id='Dz', element='C', pos=Dz_vect)
@@ -358,7 +358,7 @@
# Scale the vector.
vector = vector * scale
- # Position relative to the center of mass.
+ # Position relative to the centre of mass.
pos = R + vector
# Add the vector as a H atom.
Modified: branches/tensor_pdb/relax
URL:
http://svn.gna.org/viewcvs/relax/branches/tensor_pdb/relax?rev=2728&r1=2727&r2=2728&view=diff
==============================================================================
--- branches/tensor_pdb/relax (original)
+++ branches/tensor_pdb/relax Thu Nov 2 09:19:24 2006
@@ -404,7 +404,7 @@
def spacing(self, string, width=100):
- """Function for formatting the string to be centered to 100
spaces."""
+ """Function for formatting the string to be centred to 100 spaces."""
# Calculate the number of spaces needed.
spaces = (width - len(string)) / 2
r2728 - in /branches/tensor_pdb: generic_fns/pdb.py relax