Author: bugman
Date: Tue Oct 16 11:21:55 2012
New Revision: 17848
URL: http://svn.gna.org/viewcvs/relax?rev=17848&view=rev
Log:
Python 3 fixes for the Frame Order testing branch.
This includes print statement removal and updates of the all raise statement
syntax.
Modified:
branches/frame_order_testing/extern/sobol/sobol_lib.py
branches/frame_order_testing/maths_fns/frame_order/iso_cone.py
branches/frame_order_testing/maths_fns/frame_order/iso_cone_torsionless.py
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py
branches/frame_order_testing/maths_fns/frame_order/rotor.py
branches/frame_order_testing/specific_fns/frame_order.py
Modified: branches/frame_order_testing/extern/sobol/sobol_lib.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/extern/sobol/sobol_lib.py?rev=17848&r1=17847&r2=17848&view=diff
==============================================================================
--- branches/frame_order_testing/extern/sobol/sobol_lib.py (original)
+++ branches/frame_order_testing/extern/sobol/sobol_lib.py Tue Oct 16
11:21:55 2012
@@ -315,10 +315,10 @@
# Check parameters.
#
if ( dim_num < 1 or dim_max < dim_num ):
- print 'I4_SOBOL - Fatal error!'
- print ' The spatial dimension DIM_NUM should
satisfy:'
- print ' 1 <= DIM_NUM <= %d'%dim_max
- print ' But this input value is DIM_NUM = %d'%dim_num
+ print('I4_SOBOL - Fatal error!')
+ print(' The spatial dimension DIM_NUM should
satisfy:')
+ print(' 1 <= DIM_NUM <= %d'%dim_max)
+ print(' But this input value is DIM_NUM = %d'%dim_num)
return
dim_num_save = dim_num
@@ -412,10 +412,10 @@
# Check that the user is not calling too many times!
#
if ( maxcol < l ):
- print 'I4_SOBOL - Fatal error!'
- print ' Too many calls!'
- print ' MAXCOL = %d\n'%maxcol
- print ' L = %d\n'%l
+ print('I4_SOBOL - Fatal error!')
+ print(' Too many calls!')
+ print(' MAXCOL = %d\n'%maxcol)
+ print(' L = %d\n'%l)
return
#
# Calculate the new components of QUASI.
@@ -487,8 +487,8 @@
# Output, integer SEED, the updated seed.
#
if ( seed == 0 ):
- print 'I4_UNIFORM - Fatal error!'
- print ' Input SEED = 0!'
+ print('I4_UNIFORM - Fatal error!')
+ print(' Input SEED = 0!')
seed = math.floor ( seed )
a = round ( a )
@@ -602,4 +602,4 @@
return False
p+=1
return True
-
+
Modified: branches/frame_order_testing/maths_fns/frame_order/iso_cone.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/iso_cone.py?rev=17848&r1=17847&r2=17848&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order/iso_cone.py (original)
+++ branches/frame_order_testing/maths_fns/frame_order/iso_cone.py Tue Oct 16
11:21:55 2012
@@ -164,7 +164,7 @@
if error_flag:
pcs_theta_err[i, j] = abs(pcs_theta_err[i, j] / float(num)
- pcs_theta[i, j]**2) / float(num)
pcs_theta_err[i, j] = c[i] * sqrt(pcs_theta_err[i, j])
- print "%8.3f +/- %-8.3f" % (pcs_theta[i, j]*1e6,
pcs_theta_err[i, j]*1e6)
+ print("%8.3f +/- %-8.3f" % (pcs_theta[i, j]*1e6,
pcs_theta_err[i, j]*1e6))
def populate_1st_eigenframe_iso_cone(matrix, angle):
Modified:
branches/frame_order_testing/maths_fns/frame_order/iso_cone_torsionless.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/iso_cone_torsionless.py?rev=17848&r1=17847&r2=17848&view=diff
==============================================================================
---
branches/frame_order_testing/maths_fns/frame_order/iso_cone_torsionless.py
(original)
+++
branches/frame_order_testing/maths_fns/frame_order/iso_cone_torsionless.py
Tue Oct 16 11:21:55 2012
@@ -183,4 +183,4 @@
if error_flag:
pcs_theta_err[i, j] = abs(pcs_theta_err[i, j] / float(num)
- pcs_theta[i, j]**2) / float(num)
pcs_theta_err[i, j] = c[i] * sqrt(pcs_theta_err[i, j])
- print "%8.3f +/- %-8.3f" % (pcs_theta[i, j]*1e6,
pcs_theta_err[i, j]*1e6)
+ print("%8.3f +/- %-8.3f" % (pcs_theta[i, j]*1e6,
pcs_theta_err[i, j]*1e6))
Modified:
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py?rev=17848&r1=17847&r2=17848&view=diff
==============================================================================
---
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py
(original)
+++
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py
Tue Oct 16 11:21:55 2012
@@ -370,4 +370,4 @@
if error_flag:
pcs_theta_err[i, j] = abs(pcs_theta_err[i, j] / float(num)
- pcs_theta[i, j]**2) / float(num)
pcs_theta_err[i, j] = c[i] * sqrt(pcs_theta_err[i, j])
- print "%8.3f +/- %-8.3f" % (pcs_theta[i, j]*1e6,
pcs_theta_err[i, j]*1e6)
+ print("%8.3f +/- %-8.3f" % (pcs_theta[i, j]*1e6,
pcs_theta_err[i, j]*1e6))
Modified: branches/frame_order_testing/maths_fns/frame_order/rotor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/rotor.py?rev=17848&r1=17847&r2=17848&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order/rotor.py (original)
+++ branches/frame_order_testing/maths_fns/frame_order/rotor.py Tue Oct 16
11:21:55 2012
@@ -187,7 +187,7 @@
if error_flag:
pcs_theta_err[i, j] = abs(pcs_theta_err[i, j] / float(num)
- pcs_theta[i, j]**2) / float(num)
pcs_theta_err[i, j] = c[i] * sqrt(pcs_theta_err[i, j])
- print "%8.3f +/- %-8.3f" % (pcs_theta[i, j]*1e6,
pcs_theta_err[i, j]*1e6)
+ print("%8.3f +/- %-8.3f" % (pcs_theta[i, j]*1e6,
pcs_theta_err[i, j]*1e6))
def pcs_pivot_motion_rotor(sigma_i, r_pivot_atom, r_ln_pivot, A, R_eigen,
RT_eigen, Ri_prime):
Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=17848&r1=17847&r2=17848&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Tue Oct 16
11:21:55 2012
@@ -822,11 +822,11 @@
# Check.
if unit_vect[rdc_index] != None and len(unit_vect[rdc_index]) !=
num:
- raise RelaxError, "The number of interatomic vectors for all
no match:\n%s" % unit_vect
+ raise RelaxError("The number of interatomic vectors for all
no match:\n%s" % unit_vect)
# Missing unit vectors.
if num == None:
- raise RelaxError, "No interatomic vectors could be found."
+ raise RelaxError("No interatomic vectors could be found.")
# Update None entries.
for i in range(len(unit_vect)):
r17848 - in /branches/frame_order_testing: extern/sobol/ maths_fns/frame_order/ specific_fns/