Author: tlinnet
Date: Sun Dec 7 12:27:34 2014
New Revision: 26984
URL: http://svn.gna.org/viewcvs/relax?rev=26984&view=rev
Log:
Added the new user function deselect.sn_ratio, to deselect spins according
to their Signal to Noise ratio.
Modified:
trunk/user_functions/deselect.py
Modified: trunk/user_functions/deselect.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/deselect.py?rev=26984&r1=26983&r2=26984&view=diff
==============================================================================
--- trunk/user_functions/deselect.py (original)
+++ trunk/user_functions/deselect.py Sun Dec 7 12:27:34 2014
@@ -32,6 +32,7 @@
# relax module imports.
from graphics import WIZARD_IMAGE_PATH
from pipe_control import selection
+from pipe_control import spectrum
from user_functions.data import Uf_info; uf_info = Uf_info()
from user_functions.objects import Desc_container
@@ -284,6 +285,67 @@
uf.wizard_image = WIZARD_IMAGE_PATH + 'deselect.png'
+# The deselect.sn_ratio user function.
+uf = uf_info.add_uf("deselect.sn_ratio")
+uf.title = "Deselect spins with signal to noise ratio higher or lower than
ratio."
+uf.title_short = "Spin signal to noise deselection."
+uf.display = True
+uf.add_keyarg(
+ name = "ratio",
+ default = 1.0,
+ py_type = "float",
+ desc_short = "ratio",
+ desc = "The signal to noise ratio to compare to."
+)
+uf.add_keyarg(
+ name = "operation",
+ default = "<",
+ py_type = "str",
+ desc_short = "comparison operation",
+ desc = "The comparison operation by which to deselect the spins.",
+ wiz_element_type = "combo",
+ wiz_combo_choices = [
+ "'<' : strictly less than",
+ "'<=' : less than or equal",
+ "'>' : strictly greater than",
+ "'>=' : greater than or equal",
+ "'==' : equal",
+ "'!=' : not equal",
+ ],
+ wiz_combo_data = [
+ "<",
+ "<=",
+ ">",
+ ">=",
+ "==",
+ "!=",
+ ],
+ wiz_read_only = True
+)
+uf.add_keyarg(
+ name = "all_sn",
+ default = False,
+ py_type = "bool",
+ desc_short = "all spin S/N flag",
+ desc = "A flag specifying if all the signal to noise ratios per spin
should match the comparison operator, of if just a single comparison match
is enough."
+)
+# Description.
+uf.desc.append(Desc_container())
+uf.desc[-1].add_paragraph("The comparison operation is the method which to
deselect spins accorfing to: operation(sn_ratio, ratio).")
+uf.desc[-1].add_paragraph("The 'all_sn' flag default is False, meaning
that if any of the spins signal to noise levels evaluates to True in the
comparison, the spin is deselected.")
+# Prompt examples.
+uf.desc.append(Desc_container("Prompt examples"))
+uf.desc[-1].add_paragraph("To deselect all spins with a signal to noise
ratio lower than 10.0:")
+uf.desc[-1].add_prompt("relax> deselect.spin(ratio=10.0, operation='<')")
+uf.desc[-1].add_prompt("relax> deselect.spin(ratio=10.0, operation='<',
all_sn=True)")
+uf.backend = spectrum.sn_ratio_deselection
+uf.menu_text = "&sn_ratio"
+uf.gui_icon = "relax.fid"
+uf.wizard_height_desc = 500
+uf.wizard_size = (1000, 750)
+uf.wizard_image = WIZARD_IMAGE_PATH + 'deselect.png'
+
+
# The deselect.spin user function.
uf = uf_info.add_uf("deselect.spin")
uf.title = "Deselect specific spins."
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