Author: semor Date: Mon Mar 31 20:36:12 2008 New Revision: 5242 URL: http://svn.gna.org/viewcvs/relax?rev=5242&view=rev Log: Changes to the consistency tests code to reflect the model-free changes of r5220. These changes are similar to those made to the J(w) mapping code in r5223. Modified: branches/consistency_tests_1.3/specific_fns/consistency_tests.py Modified: branches/consistency_tests_1.3/specific_fns/consistency_tests.py URL: http://svn.gna.org/viewcvs/relax/branches/consistency_tests_1.3/specific_fns/consistency_tests.py?rev=5242&r1=5241&r2=5242&view=diff ============================================================================== --- branches/consistency_tests_1.3/specific_fns/consistency_tests.py (original) +++ branches/consistency_tests_1.3/specific_fns/consistency_tests.py Mon Mar 31 20:36:12 2008 @@ -221,21 +221,23 @@ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ These default values are found in the file 'physical_constants.py'. - ________________________________________________________________________________________ - | | | | - | Data type | Object name | Value | - |_______________________________________|_______________|______________________________| - | | | | - | Bond length | 'r' | 1.02 * 1e-10 | - | | | | - | CSA | 'csa' | -172 * 1e-6 | - | | | | - | Heteronucleus type | 'nucleus' | 'N' | - | | | | - | Angle Theta | 'orientation' | 15.7 | - | | | | - | Correlation time | 'tc' | 13 * 1e-9 | - |_______________________________________|_______________|______________________________| + ______________________________________________________________________________________ + | | | | + | Data type | Object name | Value | + |_______________________________________|____________________|_________________________| + | | | | + | Bond length | 'r' | 1.02 * 1e-10 | + | | | | + | CSA | 'csa' | -172 * 1e-6 | + | | | | + | Heteronucleus type | 'heteronuc_type' | '15N' | + | | | | + | Proton type | 'proton_type' | '1H' | + | | | | + | Angle Theta | 'orientation' | 15.7 | + | | | | + | Correlation time | 'tc' | 13 * 1e-9 | + |_______________________________________|____________________|_________________________| """ __docformat__ = "plaintext" @@ -249,8 +251,12 @@ return N15_CSA # Heteronucleus type. - elif param == 'nucleus': - return 'N' + elif param == 'heteronuc_type': + return '15N' + + # Proton type. + elif param == 'proton_type': + return '1H' # Angle Theta (default value) elif param == 'orientation': @@ -287,27 +293,29 @@ Consistency testing data type string matching patterns ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - ____________________________________________________________________________________________ - | | | | - | Data type | Object name | Patterns | - |_______________________|_______________|__________________________________________________| - | | | | - | J(0) | 'j0' | '^[Jj]0$' or '[Jj]\(0\)' | - | | | | - | F_eta | 'f_eta' | '^[Ff]_[Ee][Tt][Aa]$' | - | | | | - | F_R2 | 'f_r2' | '^[Ff]_[Rr]2$' | - | | | | - | Bond length | 'r' | '^r$' or '[Bb]ond[ -_][Ll]ength' | - | | | | - | CSA | 'csa' | '^[Cc][Ss][Aa]$' | - | | | | - | Heteronucleus type | 'nucleus' | '^[Nn]ucleus$' | - | | | | - | Angle Theta | 'orientation' | '^[Oo][Rr][Ii][Ee][Nn][Tt][Aa][Tt][Ii][Oo][Nn]$' | - | | | | - | Correlation time | 'tc' | '^[Tt]c$' | - |_______________________|_______________|__________________________________________________| + __________________________________________________________________________________________ + | | | | + | Data type | Object name | Patterns | + |_______________________|__________________|_______________________________________________| + | | | | + | J(0) | 'j0' | '^[Jj]0$' or '[Jj]\(0\)' | + | | | | + | F_eta | 'f_eta' | '^[Ff]_[Ee][Tt][Aa]$' | + | | | | + | F_R2 | 'f_r2' | '^[Ff]_[Rr]2$' | + | | | | + | Bond length | 'r' | '^r$' or '[Bb]ond[ -_][Ll]ength' | + | | | | + | CSA | 'csa' | '^[Cc][Ss][Aa]$' | + | | | | + | Heteronucleus type | 'heteronuc_type' | '^[Hh]eteronucleus$' | + | | | | + | Proton type | 'proton_type' | '^[Pp]roton$' | + | | | | + | Angle Theta | 'orientation' | '^[Oo]rientation$' | + | | | | + | Correlation time | 'tc' | '^[Tt]c$' | + |_______________________|__________________|_______________________________________________| """ __docformat__ = "plaintext" @@ -332,11 +340,15 @@ return 'csa' # Heteronucleus type. - if search('^[Nn]ucleus$', name): - return 'nucleus' + if search('^[Hh]eteronucleus$', name): + return 'heteronuc_type' + + # Proton type. + if search('^[Pp]roton$', name): + return 'proton_type' # Angle Theta - if search('^[Oo][Rr][Ii][Ee][Nn][Tt][Aa][Tt][Ii][Oo][Nn]$', name): + if search('^[Oo]rientation]$', name): return 'orientation' # Correlation time