Author: bugman
Date: Thu Aug 28 18:45:24 2014
New Revision: 25402
URL: http://svn.gna.org/viewcvs/relax?rev=25402&view=rev
Log:
Fix for the recent lib.period_table and lib.physical_constant module changes.
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py?rev=25402&r1=25401&r2=25402&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py
Thu Aug 28 18:45:24 2014
@@ -38,7 +38,8 @@
from lib.geometry.rotations import axis_angle_to_R, R_to_euler_zyz
from lib.io import open_write_file
from lib.linear_algebra.kronecker_product import kron_prod
-from lib.physical_constants import dipolar_constant, g1H, pcs_constant,
return_gyromagnetic_ratio
+from lib.periodic_table import periodic_table
+from lib.physical_constants import dipolar_constant, pcs_constant
from pipe_control.interatomic import interatomic_loop
from pipe_control.mol_res_spin import return_spin, spin_loop
from prompt.interpreter import Interpreter
@@ -147,7 +148,7 @@
# Calculate the partial PCS constant (with no vector length).
for tag in self._tensors:
- d[tag].append(pcs_constant(cdp.temperature[tag],
cdp.spectrometer_frq[tag] * 2.0 * pi / g1H, 1.0))
+ d[tag].append(pcs_constant(cdp.temperature[tag],
cdp.spectrometer_frq[tag] * 2.0 * pi / periodic_table.gyromagnetic_ratio('1H'),
1.0))
# Repackage the data for speed.
spin_pos = array(spin_pos, float64)
@@ -249,8 +250,8 @@
spin2 = return_spin(interatom.spin_id2)
# Gyromagnetic ratios.
- g1 = return_gyromagnetic_ratio(spin1.isotope)
- g2 = return_gyromagnetic_ratio(spin2.isotope)
+ g1 = periodic_table.gyromagnetic_ratio(spin1.isotope)
+ g2 = periodic_table.gyromagnetic_ratio(spin2.isotope)
# Calculate the RDC dipolar constant (in Hertz, and the 3 comes
from the alignment tensor), and append it to the list.
d.append(3.0/(2.0*pi) * dipolar_constant(g1, g2, interatom.r))
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