Author: tlinnet Date: Fri Nov 28 13:54:20 2014 New Revision: 26804 URL: http://svn.gna.org/viewcvs/relax?rev=26804&view=rev Log: Added additonal systemtest for plotting data. Nmrglue.xtest_plot_contour_cpmg. This shoves, that the automatic ppm scale finding is working. Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them. Homepage: http://www.nmrglue.com/ Link to nmrglue discussion: https://groups.google.com/forum/#!forum/nmrglue-discuss The code is develop at Github: https://github.com/jjhelmus/nmrglue/ Google code: https://code.google.com/p/nmrglue/ Documentation: http://nmrglue.readthedocs.org/en/latest/index.html Modified: branches/nmrglue/test_suite/system_tests/nmrglue.py Modified: branches/nmrglue/test_suite/system_tests/nmrglue.py URL: http://svn.gna.org/viewcvs/relax/branches/nmrglue/test_suite/system_tests/nmrglue.py?rev=26804&r1=26803&r2=26804&view=diff ============================================================================== --- branches/nmrglue/test_suite/system_tests/nmrglue.py (original) +++ branches/nmrglue/test_suite/system_tests/nmrglue.py Fri Nov 28 13:54:20 2014 @@ -26,6 +26,7 @@ # relax module imports. from data_store import Relax_data_store; ds = Relax_data_store() +from lib.io import file_root from pipe_control.nmrglue import plot_contour from status import Status; status = Status() from test_suite.system_tests.base_classes import SystemTestCase @@ -107,3 +108,34 @@ # Now show import matplotlib.pyplot as plt plt.show() + + + def xtest_plot_contour_cpmg(self): + """Test the plot_contour function in pipe_control. + This is from the U{tutorial<http://jjhelmus.github.io/nmrglue/current/examples/plot_2d_spectrum.html>}. + + The data is from systemtest -s Relax_disp.test_repeat_cpmg + U{task #7826<https://gna.org/task/index.php?7826>}. Write an python class for the repeated analysis of dispersion data. + """ + + # Define base path to files. + base_path = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'repeated_analysis'+sep+'SOD1' + + # Define folder to all ft files. + ft2_folder_1 = base_path +sep+ 'cpmg_disp_sod1d90a_060518' +sep+ 'cpmg_disp_sod1d90a_060518_normal.fid' +sep+ 'ft2_data' + ft2_folder_2 = base_path +sep+ 'cpmg_disp_sod1d90a_060521' +sep+ 'cpmg_disp_sod1d90a_060521_normal.fid' +sep+ 'ft2_data' + + # Read the spectrum. + fname = '128_0_FT.ft2' + sp_id = file_root(fname) + self.interpreter.spectrum.nmrglue_read(file=fname, dir=ft2_folder_1, spectrum_id=sp_id) + + # Call the pipe_control function and get the return axis. + ax = plot_contour(spectrum_id=sp_id, contour_start=200000., contour_num=20, contour_factor=1.20, ppm=True, show=False) + + # Set a new title. + ax.set_title("CPMG Spectrum") + + # Now show + import matplotlib.pyplot as plt + plt.show()