Author: bugman
Date: Mon Sep 8 18:41:45 2014
New Revision: 25683
URL: http://svn.gna.org/viewcvs/relax?rev=25683&view=rev
Log:
Added a script and log file for comparing relax user function differences
between versions.
Added:
trunk/test_suite/shared_data/user_functions/diff.log
trunk/test_suite/shared_data/user_functions/diff.py
Added: trunk/test_suite/shared_data/user_functions/diff.log
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/user_functions/diff.log?rev=25683&view=auto
==============================================================================
--- trunk/test_suite/shared_data/user_functions/diff.log (added)
+++ trunk/test_suite/shared_data/user_functions/diff.log Mon Sep 8
18:41:45 2014
@@ -0,0 +1,216 @@
+
+
+Comparing relax 2.0.0 to 2.1.0
+==============================
+
+-structure.vectors
++deselect.interatom
++dipole_pair.define
++dipole_pair.read_dist
++dipole_pair.set_dist
++dipole_pair.unit_vectors
++select.interatom
++sequence.attach_protons
++spin.isotope
+
+
+Comparing relax 2.1.0 to 2.1.1
+==============================
+
+
+
+Comparing relax 2.1.1 to 2.1.2
+==============================
+
+
+
+Comparing relax 2.1.2 to 2.2.0
+==============================
+
++interatomic.copy
++interatomic.create
++pcs.copy
++pcs.set_errors
++pcs.structural_noise
++pipe.change_type
++rdc.copy
++rdc.set_errors
+
+
+Comparing relax 2.2.0 to 2.2.1
+==============================
+
+
+
+Comparing relax 2.2.1 to 2.2.2
+==============================
+
+
+
+Comparing relax 2.2.2 to 2.2.3
+==============================
+
++structure.add_model
++structure.rmsd
++structure.web_of_motion
+
+
+Comparing relax 2.2.3 to 2.2.4
+==============================
+
++structure.create_rotor_pdb
+
+
+Comparing relax 2.2.4 to 2.2.5
+==============================
+
+
+
+Comparing relax 2.2.5 to 3.0.0
+==============================
+
+-dipole_pair.define
+-dipole_pair.read_dist
+-dipole_pair.set_dist
+-dipole_pair.unit_vectors
+-frame_order.cone_pdb
+-frame_order.domain_to_pdb
+-frq.set
+-interatomic.copy
+-interatomic.create
+-relax_data.frq
+-temperature
++domain
++frame_order.average_position
++frame_order.num_int_pts
++frame_order.pdb_model
++frame_order.quad_int
++interatom.copy
++interatom.define
++interatom.read_dist
++interatom.set_dist
++interatom.unit_vectors
++j_coupling.copy
++j_coupling.delete
++j_coupling.display
++j_coupling.read
++j_coupling.write
++select.domain
++spectrometer.frequency
++spectrometer.temperature
+
+
+Comparing relax 3.0.0 to 3.0.1
+==============================
+
++chemical_shift.read
+
+
+Comparing relax 3.0.1 to 3.0.2
+==============================
+
+
+
+Comparing relax 3.0.2 to 3.1.0
+==============================
+
++relax_disp.catia_execute
++relax_disp.catia_input
++relax_disp.cluster
++relax_disp.cpmg_frq
++relax_disp.cpmgfit_execute
++relax_disp.cpmgfit_input
++relax_disp.exp_type
++relax_disp.insignificance
++relax_disp.nessy_input
++relax_disp.parameter_copy
++relax_disp.plot_disp_curves
++relax_disp.plot_exp_curves
++relax_disp.r2eff_read
++relax_disp.r2eff_read_spin
++relax_disp.relax_time
++relax_disp.select_model
++relax_disp.sherekhan_input
++relax_disp.spin_lock_field
++relax_disp.spin_lock_offset
++relax_disp.write_disp_curves
+
+
+Comparing relax 3.1.0 to 3.1.1
+==============================
+
++spectrum.read_spins
++structure.read_gaussian
+
+
+Comparing relax 3.1.1 to 3.1.2
+==============================
+
+
+
+Comparing relax 3.1.2 to 3.1.3
+==============================
+
+
+
+Comparing relax 3.1.3 to 3.1.4
+==============================
+
+
+
+Comparing relax 3.1.4 to 3.1.5
+==============================
+
+
+
+Comparing relax 3.1.5 to 3.1.6
+==============================
+
+
+
+Comparing relax 3.1.6 to 3.1.7
+==============================
+
+
+
+Comparing relax 3.1.7 to 3.2.0
+==============================
+
+-relax_disp.cpmg_frq
++pymol.frame_order
++relax_disp.cpmg_setup
++relax_disp.set_grid_r20_from_min_r2eff
+
+
+Comparing relax 3.2.0 to 3.2.1
+==============================
+
+
+
+Comparing relax 3.2.1 to 3.2.2
+==============================
+
+-relax_disp.set_grid_r20_from_min_r2eff
++relax_disp.r20_from_min_r2eff
+
+
+Comparing relax 3.2.2 to 3.2.3
+==============================
+
++structure.com
+
+
+Comparing relax 3.2.3 to 3.3.0
+==============================
+
+-calc
+-grid_search
+-minimise
++minimise.calculate
++minimise.execute
++minimise.grid_search
++minimise.grid_zoom
++relax_disp.r1_fit
++relax_disp.r2eff_err_estimate
++select.display
++time
Added: trunk/test_suite/shared_data/user_functions/diff.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/user_functions/diff.py?rev=25683&view=auto
==============================================================================
--- trunk/test_suite/shared_data/user_functions/diff.py (added)
+++ trunk/test_suite/shared_data/user_functions/diff.py Mon Sep 8 18:41:45
2014
@@ -0,0 +1,100 @@
+# Python module imports.
+from re import search
+from subprocess import PIPE, Popen
+
+
+# The versions to compare.
+versions = [
+ '2.0.0',
+ '2.1.0',
+ '2.1.1',
+ '2.1.2',
+ '2.2.0',
+ '2.2.1',
+ '2.2.2',
+ '2.2.3',
+ '2.2.4',
+ '2.2.5',
+ '3.0.0',
+ '3.0.1',
+ '3.0.2',
+ '3.1.0',
+ '3.1.1',
+ '3.1.2',
+ '3.1.3',
+ '3.1.4',
+ '3.1.5',
+ '3.1.6',
+ '3.1.7',
+ '3.2.0',
+ '3.2.1',
+ '3.2.2',
+ '3.2.3',
+ '3.3.0'
+]
+
+# Loop over all versions.
+for i in range(len(versions)-1):
+ text = "Comparing relax %s to %s" % (versions[i], versions[i+1])
+ print("\n\n%s" % text)
+ print("=" * len(text) + "\n")
+
+ # The shell command.
+ cmd = 'diff -u uf_list_%s uf_list_%s' % (versions[i], versions[i+1])
+
+ # Execute the command.
+ pipe = Popen(cmd, shell=True, stdin=PIPE, stdout=PIPE, stderr=PIPE,
close_fds=False)
+ pipe.stdin.close()
+
+ # The results.
+ lines = pipe.stdout.readlines()
+
+ # Loop over the lines.
+ removed = []
+ added = []
+ for line in lines:
+ # Only look at differences.
+ if not line[0] in ['-', '+']:
+ continue
+
+ # Skip relax versions.
+ if search(' relax', line):
+ continue
+
+ # Skip the copyright
+ if search(' Copyright', line):
+ continue
+
+ # Skip the file names.
+ if search('uf_list_', line):
+ continue
+
+ # Skip ImportErrors
+ if search('ImportError', line):
+ continue
+
+ # Skip "user_functions.initialise".
+ if search('user_functions.initialise', line):
+ continue
+
+ # Skip empty lines.
+ if len(line) <= 2:
+ continue
+
+ # The funky \x1b[?1034h character.
+ if search('1034', line):
+ continue
+
+ # Store the line.
+ if line[0] == '-':
+ removed.append(line[:-1])
+ else:
+ added.append(line[:-1])
+
+ # Printout the removed, then added functions.
+ for name in removed:
+ print(name)
+ for name in added:
+ print(name)
+
+
r25683 - in /trunk/test_suite/shared_data/user_functions: diff.log diff.py