From 3cb16dcb923c1ef5ce412d8a50d5a591d6a52c57 Mon Sep 17 00:00:00 2001
From: Andreas Maunz <andreas@maunz.de>
Date: Mon, 8 Oct 2012 16:06:41 +0200
Subject: Added PC calculation

---
 _posts/2012-09-11-development-vanilla-version.md | 39 ++++++++++++++++++++++++
 1 file changed, 39 insertions(+)

diff --git a/_posts/2012-09-11-development-vanilla-version.md b/_posts/2012-09-11-development-vanilla-version.md
index 9dbdd35..3422c00 100644
--- a/_posts/2012-09-11-development-vanilla-version.md
+++ b/_posts/2012-09-11-development-vanilla-version.md
@@ -36,6 +36,45 @@ Load dataset.
     ds=`get_result "$task"`
     echo "hamster: $ds" 
 
+
+<br>
+<br>
+<hr>
+<br>
+
+Calculate benzene PC descriptors, constrained by `lib`:
+
+    curl \
+    --data-urlencode "pc_type=geometrical"  \
+    -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc
+
+Constrained by `lib` and `pc_type`:
+
+    curl \
+    --data-urlencode "lib=joelib" \
+    --data-urlencode "pc_type=geometrical"  \
+    -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc
+
+As RDF/XML:
+
+    curl -H "accept:application/rdf+xml" \
+    --data-urlencode "pc_type=geometrical" \
+    -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc
+
+Calculate dataset PC descriptors, constrained by `lib`:
+
+    task=`curl \
+    --data-urlencode "pc_type=geometrical"  \
+    -X POST $ds/pc`
+    pc_fds=`get_result "$task"`
+    echo "pc feature ds: $pc_fds"
+
+
+<br>
+<br>
+<hr>
+<br>
+
 Mine subgraphs. 
 
     # bbrc feature ds
-- 
cgit v1.2.3


From b3b71a47a6bf80329ef677335532afebf22a8347 Mon Sep 17 00:00:00 2001
From: Andreas Maunz <andreas@maunz.de>
Date: Mon, 8 Oct 2012 16:08:48 +0200
Subject: Fixed constraint on PC desc selection

---
 _posts/2012-09-11-development-vanilla-version.md | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/_posts/2012-09-11-development-vanilla-version.md b/_posts/2012-09-11-development-vanilla-version.md
index 3422c00..0cadd71 100644
--- a/_posts/2012-09-11-development-vanilla-version.md
+++ b/_posts/2012-09-11-development-vanilla-version.md
@@ -42,7 +42,7 @@ Load dataset.
 <hr>
 <br>
 
-Calculate benzene PC descriptors, constrained by `lib`:
+Calculate benzene PC descriptors, constrained by `pc_type`:
 
     curl \
     --data-urlencode "pc_type=geometrical"  \
@@ -61,7 +61,7 @@ As RDF/XML:
     --data-urlencode "pc_type=geometrical" \
     -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc
 
-Calculate dataset PC descriptors, constrained by `lib`:
+Calculate dataset PC descriptors, constrained by `pc_type`:
 
     task=`curl \
     --data-urlencode "pc_type=geometrical"  \
-- 
cgit v1.2.3