r16858 - in /branches/interatomic/test_suite/system_tests/scripts/n_state_model: align_fit.py stereochem_analysis.py -- June 11, 2012 - 20:40

Author: bugman
Date: Mon Jun 11 20:40:39 2012
New Revision: 16858

URL: http://svn.gna.org/viewcvs/relax?rev=16858&view=rev
Log:
Converted a few of the N-state model system tests to use the new rdc.read 
definition.


Modified:
    
branches/interatomic/test_suite/system_tests/scripts/n_state_model/align_fit.py
    
branches/interatomic/test_suite/system_tests/scripts/n_state_model/stereochem_analysis.py

Modified: 
branches/interatomic/test_suite/system_tests/scripts/n_state_model/align_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/test_suite/system_tests/scripts/n_state_model/align_fit.py?rev=16858&r1=16857&r2=16858&view=diff
==============================================================================
--- 
branches/interatomic/test_suite/system_tests/scripts/n_state_model/align_fit.py
 (original)
+++ 
branches/interatomic/test_suite/system_tests/scripts/n_state_model/align_fit.py
 Mon Jun 11 20:40:39 2012
@@ -45,7 +45,7 @@
 
 # RDCs.
 if ds.mode in ['rdc', 'all']:
-    self._execute_uf(uf_name='rdc.read', align_id='synth', file=rdc_file, 
dir=DATA_PATH, mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, 
spin_name_col=5, data_col=6)
+    self._execute_uf(uf_name='rdc.read', align_id='synth', file=rdc_file, 
dir=DATA_PATH, spin_id1_col=1, spin_id2_col=2, data_col=3, error_col=None)
 
 # PCSs.
 if ds.mode in ['pcs', 'all']:

Modified: 
branches/interatomic/test_suite/system_tests/scripts/n_state_model/stereochem_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/test_suite/system_tests/scripts/n_state_model/stereochem_analysis.py?rev=16858&r1=16857&r2=16858&view=diff
==============================================================================
--- 
branches/interatomic/test_suite/system_tests/scripts/n_state_model/stereochem_analysis.py
 (original)
+++ 
branches/interatomic/test_suite/system_tests/scripts/n_state_model/stereochem_analysis.py
 Mon Jun 11 20:40:39 2012
@@ -94,13 +94,9 @@
 # RDC file info.
 RDC_NAME = "PAN"
 RDC_FILE = path_rdc + "PAN_phthalic_acid"
-RDC_SPIN_ID_COL = 1
-RDC_MOL_NAME_COL = None
-RDC_RES_NUM_COL = None
-RDC_RES_NAME_COL = None
-RDC_SPIN_NUM_COL = None
-RDC_SPIN_NAME_COL = None
-RDC_DATA_COL = 2
+RDC_SPIN_ID1_COL = 1
+RDC_SPIN_ID2_COL = 2
+RDC_DATA_COL = 3
 RDC_ERROR_COL = None
 
 # Bond length.
@@ -133,12 +129,8 @@
     noe_norm=NOE_NORM,
     rdc_name=RDC_NAME,
     rdc_file=RDC_FILE,
-    rdc_spin_id_col=RDC_SPIN_ID_COL,
-    rdc_mol_name_col=RDC_MOL_NAME_COL,
-    rdc_res_num_col=RDC_RES_NUM_COL,
-    rdc_res_name_col=RDC_RES_NAME_COL,
-    rdc_spin_num_col=RDC_SPIN_NUM_COL,
-    rdc_spin_name_col=RDC_SPIN_NAME_COL,
+    rdc_spin_id1_col=RDC_SPIN_ID1_COL,
+    rdc_spin_id2_col=RDC_SPIN_ID2_COL,
     rdc_data_col=RDC_DATA_COL,
     rdc_error_col=RDC_ERROR_COL,
     bond_length=BOND_LENGTH,