Author: tlinnet
Date: Thu May 8 19:42:03 2014
New Revision: 23097
URL: http://svn.gna.org/viewcvs/relax?rev=23097&view=rev
Log:
Modified dx.map to accept more than one point.
task #7791: (https://gna.org/task/index.php?7791 ) the dx.map should accept a
list of list with values for points.
Modified:
trunk/lib/software/opendx/files.py
trunk/pipe_control/opendx.py
Modified: trunk/lib/software/opendx/files.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/software/opendx/files.py?rev=23097&r1=23096&r2=23097&view=diff
==============================================================================
--- trunk/lib/software/opendx/files.py (original)
+++ trunk/lib/software/opendx/files.py Thu May 8 19:42:03 2014
@@ -107,7 +107,7 @@
file.close()
-def write_point(file_prefix=None, dir=None, inc=None, point=None,
bounds=None, N=None):
+def write_point(file_prefix=None, dir=None, inc=None, point=None,
num_points=None, bounds=None, N=None):
"""Creating a sphere at a given position within the map.
The formula used to calculate the coordinate position is::
@@ -133,6 +133,8 @@
@type inc: int
@keyword point: The list of coordinates of the point.
@type point: numpy rank-1 float array or list of numpy rank-1
float array.
+ @keyword num_points: The number of points.
+ @type num_points: int
@keyword bounds: The bounds of the map.
@type bounds: numpy rank-2 float array
@keyword N: The dimension of the map.
@@ -147,14 +149,25 @@
point_file_general = open_write_file(file_name=file_prefix+".general",
dir=dir, force=True)
# Calculate the coordinate values.
- coords = inc * (point - bounds[:, 0]) / (bounds[:, 1] - bounds[:, 0])
- for i in range(N):
- point_file.write("%-15.5g" % coords[i])
- point_file.write("1\n")
+ if num_points > 1:
+ for i in range(num_points):
+ i_point = point[i]
+
+ coords = inc * (i_point - bounds[:, 0]) / (bounds[:, 1] -
bounds[:, 0])
+ for i in range(N):
+ point_file.write("%-15.5g" % coords[i])
+ point_file.write("1\n")
+ else:
+ i_point = point
+
+ coords = inc * (i_point - bounds[:, 0]) / (bounds[:, 1] - bounds[:,
0])
+ for i in range(N):
+ point_file.write("%-15.5g" % coords[i])
+ point_file.write("1\n")
# The text of the point .general file.
point_file_general.write("file = %s\n" % file_prefix)
- point_file_general.write("points = 1\n")
+ point_file_general.write("points = %s\n" % num_points)
point_file_general.write("format = ascii\n")
point_file_general.write("interleaving = field\n")
point_file_general.write("field = locations, field0\n")
@@ -228,7 +241,7 @@
file.write("// MODULE main\n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write("// page assignment: Colour Space\torder=3, windowed=0,
showing=0\n")
file.write("// page assignment: ColourScene\t\torder=5, windowed=0,
showing=0\n")
@@ -259,7 +272,7 @@
file.write(" // \n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write(" // node Import[4]: x = 177, y = 62, inputs = 6,
label = %s\n" % point_file)
file.write(" // input[1]: defaulting = 0, visible = 1, type = 32,
value = \"%s.general\"\n" % point_file)
@@ -517,7 +530,7 @@
file.write(" // \n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write(" // node Collect[8]: x = 293, y = 431, inputs = 2,
label = Collect\n")
file.write(" // page group: Grey Space\n")
@@ -541,7 +554,7 @@
file.write(" // \n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write("GreySpace = main_Collect_8_out_1;\n")
@@ -636,7 +649,7 @@
file.write(" // \n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write(" // node Color[11]: x = 133, y = 278, inputs = 5,
label = Color\n")
file.write(" // input[2]: defaulting = 0, visible = 1, type = 8,
value = [1 0 0]\n")
@@ -773,7 +786,7 @@
file.write(" // \n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write(" // node Collect[12]: x = 293, y = 431, inputs = 2,
label = Collect\n")
file.write(" // page group: Colour Space\n")
@@ -797,7 +810,7 @@
file.write(" // \n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write("ColourSpace = main_Collect_12_out_1;\n")
@@ -1035,7 +1048,7 @@
file.write("}\n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write("main_Import_4_in_1 = \"%s.general\";\n" % point_file)
file.write("main_Import_4_in_2 = NULL;\n")
@@ -1125,7 +1138,7 @@
file.write("main_Collect_7_out_1 = NULL;\n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write("main_Collect_8_out_1 = NULL;\n")
@@ -1164,7 +1177,7 @@
file.write("main_AutoAxes_2_out_1 = NULL;\n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write("main_Color_11_in_2 = [1 0 0];\n")
file.write("main_Color_11_in_3 = 1.0;\n")
@@ -1205,7 +1218,7 @@
file.write("main_Collect_11_out_1 = NULL;\n")
# Include the sphere.
- if num_points == 1:
+ if num_points > 0:
file.write("\n")
file.write("main_Collect_12_out_1 = NULL;\n")
Modified: trunk/pipe_control/opendx.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/opendx.py?rev=23097&r1=23096&r2=23097&view=diff
==============================================================================
--- trunk/pipe_control/opendx.py (original)
+++ trunk/pipe_control/opendx.py Thu May 8 19:42:03 2014
@@ -174,14 +174,8 @@
write_general(file_prefix=self.file_prefix, dir=self.dir,
inc=self.inc)
# Create the OpenDX .general and data files for the given point.
- if self.num_points == 1:
- write_point(file_prefix=self.point_file, dir=self.dir,
inc=self.inc, point=self.point, bounds=self.bounds, N=self.n)
-
- # Generate the OpenDX .general and data files for each point.
- elif self.num_points > 1:
- for i in range(self.num_points):
- file_prefix = "%s_%i"%(self.point_file, i)
- write_point(file_prefix=file_prefix, dir=self.dir,
inc=self.inc, point=self.point[i], bounds=self.bounds, N=self.n)
+ if self.num_points > 1:
+ write_point(file_prefix=self.point_file, dir=self.dir,
inc=self.inc, point=self.point, num_points=self.num_points,
bounds=self.bounds, N=self.n)
# Generate the map.
self.create_map()
r23097 - in /trunk: lib/software/opendx/files.py pipe_control/opendx.py