Author: bugman
Date: Fri Aug 29 11:34:54 2014
New Revision: 25421
URL: http://svn.gna.org/viewcvs/relax?rev=25421&view=rev
Log:
Created the select.display user function.
This simply displays the current spin selections of all spins. In the future
it can be extended to
display the interatomic data container selections, domain selections, etc.
Modified:
trunk/pipe_control/selection.py
trunk/user_functions/select.py
Modified: trunk/pipe_control/selection.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/selection.py?rev=25421&r1=25420&r2=25421&view=diff
==============================================================================
--- trunk/pipe_control/selection.py (original)
+++ trunk/pipe_control/selection.py Fri Aug 29 11:34:54 2014
@@ -23,16 +23,17 @@
"""Module for selecting and deselecting spins."""
# Python module imports
+import sys
from warnings import warn
# relax module imports.
from lib.errors import RelaxError, RelaxNoDomainError, RelaxNoSequenceError
from lib.selection import Selection, spin_id_to_data_list
-from lib.sequence import read_spin_data
+from lib.sequence import read_spin_data, write_spin_data
from lib.warnings import RelaxNoSpinWarning
from pipe_control import pipes
from pipe_control.interatomic import interatomic_loop
-from pipe_control.mol_res_spin import exists_mol_res_spin_data,
generate_spin_id_unique, return_spin, spin_loop
+from pipe_control.mol_res_spin import check_mol_res_spin_data,
exists_mol_res_spin_data, generate_spin_id_unique, return_spin, spin_loop
from user_functions.data import Uf_tables; uf_tables = Uf_tables()
from user_functions.objects import Desc_container
@@ -306,6 +307,59 @@
spin.select = boolean_deselect(current=spin.select,
boolean=boolean)
+def display(sep=None, mol_name_flag=True, res_num_flag=True,
res_name_flag=True, spin_num_flag=True, spin_name_flag=True):
+ """Display the current spin selections.
+
+ @keyword sep: The column seperator which, if None,
defaults to whitespace.
+ @type sep: str or None
+ @keyword mol_name_flag: A flag which if True will cause the molecule
name column to be written.
+ @type mol_name_flag: bool
+ @keyword res_num_flag: A flag which if True will cause the residue
number column to be written.
+ @type res_num_flag: bool
+ @keyword res_name_flag: A flag which if True will cause the residue
name column to be written.
+ @type res_name_flag: bool
+ @keyword spin_name_flag: A flag which if True will cause the spin
name column to be written.
+ @type spin_name_flag: bool
+ @keyword spin_num_flag: A flag which if True will cause the spin
number column to be written.
+ @type spin_num_flag: bool
+ """
+
+ # Test if the sequence data is loaded.
+ check_mol_res_spin_data()
+
+ # Init the data.
+ mol_names = []
+ res_nums = []
+ res_names = []
+ spin_nums = []
+ spin_names = []
+ selections = []
+
+ # Spin loop.
+ for spin, mol_name, res_num, res_name in spin_loop(full_info=True,
skip_desel=False):
+ mol_names.append(mol_name)
+ res_nums.append(res_num)
+ res_names.append(res_name)
+ spin_nums.append(spin.num)
+ spin_names.append(spin.name)
+ selections.append(spin.select)
+
+ # Remove unwanted data.
+ if not mol_name_flag:
+ mol_names = None
+ if not res_num_flag:
+ res_nums = None
+ if not res_name_flag:
+ res_names = None
+ if not spin_num_flag:
+ spin_nums = None
+ if not spin_name_flag:
+ spin_names = None
+
+ # Write the data.
+ write_spin_data(file=sys.stdout, sep=sep, mol_names=mol_names,
res_nums=res_nums, res_names=res_names, spin_nums=spin_nums,
spin_names=spin_names, data=selections, data_name="selection")
+
+
def is_mol_selected(selection=None):
"""Query if the molecule is selected.
Modified: trunk/user_functions/select.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/select.py?rev=25421&r1=25420&r2=25421&view=diff
==============================================================================
--- trunk/user_functions/select.py (original)
+++ trunk/user_functions/select.py Fri Aug 29 11:34:54 2014
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2003-2013 Edward d'Auvergne
#
+# Copyright (C) 2003-2014 Edward d'Auvergne
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -57,6 +57,26 @@
uf.desc[-1].add_prompt("relax> select.all()")
uf.backend = selection.sel_all
uf.menu_text = "&all"
+uf.wizard_size = (600, 550)
+uf.wizard_apply_button = False
+uf.wizard_image = WIZARD_IMAGE_PATH + 'select.png'
+
+
+# The select.display user function.
+uf = uf_info.add_uf('select.display')
+uf.title = "Display the current spin selection status."
+uf.title_short = "Display spin selection status."
+uf.display = True
+# Description.
+uf.desc.append(Desc_container())
+uf.desc[-1].add_paragraph("This simply prints out the current spin
selections.")
+# Prompt examples.
+uf.desc.append(Desc_container("Prompt examples"))
+uf.desc[-1].add_paragraph("To show the current selections, type:")
+uf.desc[-1].add_prompt("relax> select.display()")
+uf.backend = selection.display
+uf.menu_text = "dis&play"
+uf.gui_icon = "oxygen.actions.document-preview"
uf.wizard_size = (600, 550)
uf.wizard_apply_button = False
uf.wizard_image = WIZARD_IMAGE_PATH + 'select.png'
r25421 - in /trunk: pipe_control/selection.py user_functions/select.py