mailRe: r23087 - in /trunk: lib/software/opendx/files.py pipe_control/opendx.py


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Posted by Edward d'Auvergne on May 08, 2014 - 16:29:
Hi,

The pipe_control/opendx.py change here doesn't do anything.  As I
mentioned previously
(http://article.gmane.org/gmane.science.nmr.relax.devel/5680), without
a little planning, you will run into problems with this change to
lib/software/opendx/files.py!

Regards,

Edward


On 8 May 2014 15:59,  <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Thu May  8 15:59:36 2014
New Revision: 23087

URL: http://svn.gna.org/viewcvs/relax?rev=23087&view=rev
Log:
Tried to make writing of the map.general file.

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=23087&r1=23086&r2=23087&view=diff
==============================================================================
--- trunk/lib/software/opendx/files.py  (original)
+++ trunk/lib/software/opendx/files.py  Thu May  8 15:59:36 2014
@@ -228,7 +228,7 @@
     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")
@@ -259,64 +259,66 @@
     file.write("    // \n")

     # Include the sphere.
-    if num_points == 1:
-        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)
-        file.write("    // input[3]: defaulting = 1, visible = 1, type = 
32, value = \"general\"\n")
-        file.write("    // page group: Glyph\n")
-        file.write("    //\n")
-        file.write("main_Import_4_out_1 = \n")
-        file.write("    Import(\n")
-        file.write("    main_Import_4_in_1,\n")
-        file.write("    main_Import_4_in_2,\n")
-        file.write("    main_Import_4_in_3,\n")
-        file.write("    main_Import_4_in_4,\n")
-        file.write("    main_Import_4_in_5,\n")
-        file.write("    main_Import_4_in_6\n")
-        file.write("    ) [instance: 4, cache: 1];\n")
-        file.write("    // \n")
-        file.write("    // node Glyph[2]: x = 201, y = 182, inputs = 7, 
label = Glyph\n")
-        file.write("    // input[2]: defaulting = 0, visible = 1, type = 
32, value = \"sphere\"\n")
-        file.write("    // input[3]: defaulting = 1, visible = 1, type = 
5, value = 10.0\n")
-        file.write("    // input[4]: defaulting = 0, visible = 1, type = 
5, value = %s\n" % sphere_size)
-        file.write("    // input[5]: defaulting = 0, visible = 1, type = 
5, value = 0.0\n")
-        file.write("    // page group: Glyph\n")
-        file.write("    //\n")
-        file.write("main_Glyph_2_out_1 = \n")
-        file.write("    Glyph(\n")
-        file.write("    main_Import_4_out_1,\n")
-        file.write("    main_Glyph_2_in_2,\n")
-        file.write("    main_Glyph_2_in_3,\n")
-        file.write("    main_Glyph_2_in_4,\n")
-        file.write("    main_Glyph_2_in_5,\n")
-        file.write("    main_Glyph_2_in_6,\n")
-        file.write("    main_Glyph_2_in_7\n")
-        file.write("    ) [instance: 2, cache: 1];\n")
-        file.write("    // \n")
-        file.write("    // node Color[10]: x = 357, y = 278, inputs = 5, 
label = Color\n")
-        file.write("    // input[2]: defaulting = 0, visible = 1, type = 
8, value = [0 0 0]\n")
-        file.write("    // input[3]: defaulting = 0, visible = 1, type = 
5, value = 1.0\n")
-        file.write("    // page group: Glyph\n")
-        file.write("    //\n")
-        file.write("main_Color_10_out_1 = \n")
-        file.write("    Color(\n")
-        file.write("    main_Glyph_2_out_1,\n")
-        file.write("    main_Color_10_in_2,\n")
-        file.write("    main_Color_10_in_3,\n")
-        file.write("    main_Color_10_in_4,\n")
-        file.write("    main_Color_10_in_5\n")
-        file.write("    ) [instance: 10, cache: 1];\n")
-        file.write("    // \n")
-        file.write("    // node Transmitter[1]: x = 352, y = 386, inputs = 
1, label = GreySphere\n")
-        file.write("    // page group: Glyph\n")
-        file.write("    //\n")
-        file.write("GreySphere = main_Color_10_out_1;\n")
-        file.write("    // \n")
-        file.write("    // node Receiver[2]: x = 190, y = 350, inputs = 1, 
label = GreySphere\n")
-        file.write("    // page group: Grey Space\n")
-        file.write("    //\n")
-        file.write("main_Receiver_2_out_1[cache: 0] = GreySphere;\n")
+    if num_points > 0:
+        for i in range(num_points):
+            i_point_file = "%s_%i"%(point_file, i)
+            file.write("\n")
+            file.write("    // node Import[4]: x = 177, y = 62, inputs = 
6, label = %s\n" % i_point_file)
+            file.write("    // input[1]: defaulting = 0, visible = 1, type 
= 32, value = \"%s.general\"\n" % i_point_file)
+            file.write("    // input[3]: defaulting = 1, visible = 1, type 
= 32, value = \"general\"\n")
+            file.write("    // page group: Glyph\n")
+            file.write("    //\n")
+            file.write("main_Import_4_out_1 = \n")
+            file.write("    Import(\n")
+            file.write("    main_Import_4_in_1,\n")
+            file.write("    main_Import_4_in_2,\n")
+            file.write("    main_Import_4_in_3,\n")
+            file.write("    main_Import_4_in_4,\n")
+            file.write("    main_Import_4_in_5,\n")
+            file.write("    main_Import_4_in_6\n")
+            file.write("    ) [instance: 4, cache: 1];\n")
+            file.write("    // \n")
+            file.write("    // node Glyph[2]: x = 201, y = 182, inputs = 
7, label = Glyph\n")
+            file.write("    // input[2]: defaulting = 0, visible = 1, type 
= 32, value = \"sphere\"\n")
+            file.write("    // input[3]: defaulting = 1, visible = 1, type 
= 5, value = 10.0\n")
+            file.write("    // input[4]: defaulting = 0, visible = 1, type 
= 5, value = %s\n" % sphere_size)
+            file.write("    // input[5]: defaulting = 0, visible = 1, type 
= 5, value = 0.0\n")
+            file.write("    // page group: Glyph\n")
+            file.write("    //\n")
+            file.write("main_Glyph_2_out_1 = \n")
+            file.write("    Glyph(\n")
+            file.write("    main_Import_4_out_1,\n")
+            file.write("    main_Glyph_2_in_2,\n")
+            file.write("    main_Glyph_2_in_3,\n")
+            file.write("    main_Glyph_2_in_4,\n")
+            file.write("    main_Glyph_2_in_5,\n")
+            file.write("    main_Glyph_2_in_6,\n")
+            file.write("    main_Glyph_2_in_7\n")
+            file.write("    ) [instance: 2, cache: 1];\n")
+            file.write("    // \n")
+            file.write("    // node Color[10]: x = 357, y = 278, inputs = 
5, label = Color\n")
+            file.write("    // input[2]: defaulting = 0, visible = 1, type 
= 8, value = [0 0 0]\n")
+            file.write("    // input[3]: defaulting = 0, visible = 1, type 
= 5, value = 1.0\n")
+            file.write("    // page group: Glyph\n")
+            file.write("    //\n")
+            file.write("main_Color_10_out_1 = \n")
+            file.write("    Color(\n")
+            file.write("    main_Glyph_2_out_1,\n")
+            file.write("    main_Color_10_in_2,\n")
+            file.write("    main_Color_10_in_3,\n")
+            file.write("    main_Color_10_in_4,\n")
+            file.write("    main_Color_10_in_5\n")
+            file.write("    ) [instance: 10, cache: 1];\n")
+            file.write("    // \n")
+            file.write("    // node Transmitter[1]: x = 352, y = 386, 
inputs = 1, label = GreySphere\n")
+            file.write("    // page group: Glyph\n")
+            file.write("    //\n")
+            file.write("GreySphere = main_Color_10_out_1;\n")
+            file.write("    // \n")
+            file.write("    // node Receiver[2]: x = 190, y = 350, inputs 
= 1, label = GreySphere\n")
+            file.write("    // page group: Grey Space\n")
+            file.write("    //\n")
+            file.write("main_Receiver_2_out_1[cache: 0] = GreySphere;\n")

     # Common code.
     file.write("\n")
@@ -517,7 +519,7 @@
     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 +543,7 @@
     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 +638,7 @@
     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 +775,7 @@
     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 +799,7 @@
     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")

@@ -1035,29 +1037,33 @@
     file.write("}\n")

     # Include the sphere.
-    if num_points == 1:
-        file.write("\n")
-        file.write("main_Import_4_in_1 = \"%s.general\";\n" % point_file)
-        file.write("main_Import_4_in_2 = NULL;\n")
-        file.write("main_Import_4_in_3 = NULL;\n")
-        file.write("main_Import_4_in_4 = NULL;\n")
-        file.write("main_Import_4_in_5 = NULL;\n")
-        file.write("main_Import_4_in_6 = NULL;\n")
-        file.write("main_Import_4_out_1 = NULL;\n")
-        file.write("main_Glyph_2_in_2 = \"sphere\";\n")
-        file.write("main_Glyph_2_in_3 = NULL;\n")
-        file.write("main_Glyph_2_in_4 = %s;\n" % sphere_size)
-        file.write("main_Glyph_2_in_5 = 0.0;\n")
-        file.write("main_Glyph_2_in_6 = NULL;\n")
-        file.write("main_Glyph_2_in_7 = NULL;\n")
-        file.write("main_Glyph_2_out_1 = NULL;\n")
-        file.write("main_Color_10_in_2 = [0 0 0];\n")
-        file.write("main_Color_10_in_3 = 1.0;\n")
-        file.write("main_Color_10_in_4 = NULL;\n")
-        file.write("main_Color_10_in_5 = NULL;\n")
-        file.write("main_Color_10_out_1 = NULL;\n")
-        file.write("main_Transmitter_1_out_1 = NULL;\n")
-        file.write("main_Receiver_2_out_1 = NULL;\n")
+    if num_points > 0:
+        if num_points > 0:
+            for i in range(num_points):
+                i_point_file = "%s_%i"%(point_file, i)
+
+                file.write("\n")
+                file.write("main_Import_4_in_1 = \"%s.general\";\n" % 
i_point_file)
+                file.write("main_Import_4_in_2 = NULL;\n")
+                file.write("main_Import_4_in_3 = NULL;\n")
+                file.write("main_Import_4_in_4 = NULL;\n")
+                file.write("main_Import_4_in_5 = NULL;\n")
+                file.write("main_Import_4_in_6 = NULL;\n")
+                file.write("main_Import_4_out_1 = NULL;\n")
+                file.write("main_Glyph_2_in_2 = \"sphere\";\n")
+                file.write("main_Glyph_2_in_3 = NULL;\n")
+                file.write("main_Glyph_2_in_4 = %s;\n" % sphere_size)
+                file.write("main_Glyph_2_in_5 = 0.0;\n")
+                file.write("main_Glyph_2_in_6 = NULL;\n")
+                file.write("main_Glyph_2_in_7 = NULL;\n")
+                file.write("main_Glyph_2_out_1 = NULL;\n")
+                file.write("main_Color_10_in_2 = [0 0 0];\n")
+                file.write("main_Color_10_in_3 = 1.0;\n")
+                file.write("main_Color_10_in_4 = NULL;\n")
+                file.write("main_Color_10_in_5 = NULL;\n")
+                file.write("main_Color_10_out_1 = NULL;\n")
+                file.write("main_Transmitter_1_out_1 = NULL;\n")
+                file.write("main_Receiver_2_out_1 = NULL;\n")

     # Common code.
     file.write("\n")
@@ -1125,7 +1131,7 @@
     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 +1170,7 @@
     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 +1211,7 @@
     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=23087&r1=23086&r2=23087&view=diff
==============================================================================
--- trunk/pipe_control/opendx.py        (original)
+++ trunk/pipe_control/opendx.py        Thu May  8 15:59:36 2014
@@ -175,6 +175,7 @@

         # Create the OpenDX .general and data files for the given point.
         if self.num_points == 1:
+            file_prefix = "%s_0"%(self.point_file)
             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.


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