Author: bugman Date: Wed Dec 14 18:39:32 2011 New Revision: 15096 URL: http://svn.gna.org/viewcvs/relax?rev=15096&view=rev Log: Updated all of the frame order RDC and PCS data back calculation scripts for recent changes. Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/back_calc.py branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor2/back_calc.py branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone/back_calc.py branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/back_calc.py branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/back_calc.py branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/back_calc.py branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/back_calc.py branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/back_calc.py branches/frame_order_testing/test_suite/shared_data/frame_order/rotor_2_state/back_calc.py Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor2/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor2/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor2/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor2/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303) @@ -60,3 +60,6 @@ # Write the data. rdc.write(align_id=tag, file='rdc_%s.txt'%tensors[i], bc=True, force=True) pcs.write(align_id=tag, file='pcs_%s.txt'%tensors[i], bc=True, force=True) + +# Store the state. +state.save('back_calc', force=True) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/rotor_2_state/back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/rotor_2_state/back_calc.py?rev=15096&r1=15095&r2=15096&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/rotor_2_state/back_calc.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/rotor_2_state/back_calc.py Wed Dec 14 18:39:32 2011 @@ -33,9 +33,9 @@ # Loop over the alignments. tensors = ['dy', 'tb', 'tm', 'er'] -for i in range(len(cdp.align_tensors)): +for i in range(len(tensors)): # The tag. - tag = cdp.align_tensors[i].name + tag = tensors[i] # The temperature and field strength. temperature(id=tag, temp=303)