Author: bugman Date: Thu Nov 20 15:07:12 2014 New Revision: 26661 URL: http://svn.gna.org/viewcvs/relax?rev=26661&view=rev Log: Merged revisions 26656,26659 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk ........ r26656 | bugman | 2014-11-20 14:40:42 +0100 (Thu, 20 Nov 2014) | 6 lines Python 2.5 fix for the align_tensor.display user function. The new irreducible spherical tensor coefficient printout was failing as the float.real variable was introduced from Python 2.6 onwards. ........ r26659 | bugman | 2014-11-20 15:05:32 +0100 (Thu, 20 Nov 2014) | 7 lines Shifted the structure checks into their own module. This shifts the special check_structure Check object from pipe_control.structure.main into the new checks module. It allows the check to be performed by other modules in the pipe_control.structure package. ........ Added: branches/space_mapping_refactor/pipe_control/structure/checks.py - copied unchanged from r26659, trunk/pipe_control/structure/checks.py Modified: branches/space_mapping_refactor/ (props changed) branches/space_mapping_refactor/pipe_control/align_tensor.py branches/space_mapping_refactor/pipe_control/structure/__init__.py branches/space_mapping_refactor/pipe_control/structure/main.py Propchange: branches/space_mapping_refactor/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Thu Nov 20 15:07:12 2014 @@ -1 +1 @@ -/trunk:1-26653 +/trunk:1-26659 Modified: branches/space_mapping_refactor/pipe_control/align_tensor.py URL: http://svn.gna.org/viewcvs/relax/branches/space_mapping_refactor/pipe_control/align_tensor.py?rev=26661&r1=26660&r2=26661&view=diff ============================================================================== --- branches/space_mapping_refactor/pipe_control/align_tensor.py (original) +++ branches/space_mapping_refactor/pipe_control/align_tensor.py Thu Nov 20 15:07:12 2014 @@ -347,7 +347,7 @@ # The parameters. print("A-2 = %25.12e %25.12ei" % (data.Am2.real, data.Am2.imag)) print("A-1 = %25.12e %25.12ei" % (data.Am1.real, data.Am1.imag)) - print("A0 = %25.12e" % data.A0.real) + print("A0 = %25.12e" % data.A0) print("A1 = %25.12e %25.12ei" % (data.A1.real, data.A1.imag)) print("A2 = %25.12e %25.12ei" % (data.A2.real, data.A2.imag)) Modified: branches/space_mapping_refactor/pipe_control/structure/__init__.py URL: http://svn.gna.org/viewcvs/relax/branches/space_mapping_refactor/pipe_control/structure/__init__.py?rev=26661&r1=26660&r2=26661&view=diff ============================================================================== --- branches/space_mapping_refactor/pipe_control/structure/__init__.py (original) +++ branches/space_mapping_refactor/pipe_control/structure/__init__.py Thu Nov 20 15:07:12 2014 @@ -36,6 +36,7 @@ """ __all__ = [ + 'checks', 'geometric', 'main', 'mass' Modified: branches/space_mapping_refactor/pipe_control/structure/main.py URL: http://svn.gna.org/viewcvs/relax/branches/space_mapping_refactor/pipe_control/structure/main.py?rev=26661&r1=26660&r2=26661&view=diff ============================================================================== --- branches/space_mapping_refactor/pipe_control/structure/main.py (original) +++ branches/space_mapping_refactor/pipe_control/structure/main.py Thu Nov 20 15:07:12 2014 @@ -30,7 +30,6 @@ # relax module imports. from lib.check_types import is_float -from lib.checks import Check from lib.errors import RelaxError, RelaxFileError from lib.io import get_file_path, open_write_file, write_data from lib.selection import tokenise @@ -45,6 +44,7 @@ from pipe_control.interatomic import interatomic_loop from pipe_control.mol_res_spin import check_mol_res_spin_data, create_spin, generate_spin_id_unique, linear_ave, return_spin, spin_loop from pipe_control.pipes import cdp_name, check_pipe, get_pipe +from pipe_control.structure.checks import check_structure from pipe_control.structure.mass import pipe_centre_of_mass from status import Status; status = Status() from target_functions.ens_pivot_finder import Pivot_finder @@ -249,36 +249,6 @@ # Increment the index. i += 1 - - -def check_structure_func(pipe_name=None): - """Test if structural data is present. - - @return: The initialised RelaxError object or nothing. - @rtype: None or RelaxError instance - """ - - # Defaults. - if pipe_name == None: - pipe_name = cdp_name() - - # Get the data pipe. - dp = get_pipe(pipe_name) - - # Test if the structure exists. - if not hasattr(dp, 'structure'): - return RelaxError("No structural data is present in the current data pipe.") - - # Check for models: - if not dp.structure.num_models(): - return RelaxError("The structural object in the current data pipe contains no models.") - - # Check for molecules. - if not dp.structure.num_molecules(): - return RelaxError("The structural object in the current data pipe contains no molecules.") - -# Create the checking object. -check_structure = Check(check_structure_func) def connect_atom(index1=None, index2=None):