diff options
| author | Andreas Maunz <andreas@maunz.de> | 2012-02-20 14:45:20 +0100 |
|---|---|---|
| committer | Andreas Maunz <andreas@maunz.de> | 2012-02-20 14:45:20 +0100 |
| commit | e77cc376aaff8ca481fdace6d5795c5b5feb0e87 (patch) | |
| tree | 7414410257818a6f52e64fc720827766b05ed70a /java/docs/feature/DistanceMatrix.html | |
| parent | ec9256dc1b29a3203d6e987244d2aeacbd3dda1a (diff) | |
Added pc descriptor calc service
Diffstat (limited to 'java/docs/feature/DistanceMatrix.html')
| -rw-r--r-- | java/docs/feature/DistanceMatrix.html | 111 |
1 files changed, 111 insertions, 0 deletions
diff --git a/java/docs/feature/DistanceMatrix.html b/java/docs/feature/DistanceMatrix.html new file mode 100644 index 0000000..ecd0533 --- /dev/null +++ b/java/docs/feature/DistanceMatrix.html @@ -0,0 +1,111 @@ +<HTML
+><HEAD
+><TITLE
+></TITLE
+><META
+NAME="GENERATOR"
+CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK
+REL="NEXT"
+TITLE="Bibliography"
+HREF="bibliography.html"></HEAD
+><BODY
+CLASS="ARTICLE"
+BGCOLOR="#FFFFFF"
+TEXT="#000000"
+LINK="#0000FF"
+VLINK="#840084"
+ALINK="#0000FF"
+><DIV
+CLASS="ARTICLE"
+><DIV
+CLASS="SECT1"
+><H1
+CLASS="SECT1"
+><A
+NAME="JOELIB.DESCRIPTORS."
+></A
+>Descriptor</H1
+><DIV
+CLASS="SECT2"
+><H2
+CLASS="SECT2"
+><A
+NAME="JOELIB.DESCRIPTORS.DISTANCEMATRIX"
+></A
+>Topological distance matrix</H2
+><P
+>Calculates the topological distances between all atom pairs.
+Here a simple BFS (see also )
+is used to calculate these distances, which causes a running time of
+<SPAN
+CLASS="bold"
+><B
+CLASS="EMPHASIS"
+>O(A<SUP
+>3</SUP
+>)</B
+></SPAN
+>, where
+<SPAN
+CLASS="bold"
+><B
+CLASS="EMPHASIS"
+>A</B
+></SPAN
+> is the number of atoms.</P
+></DIV
+></DIV
+></DIV
+><DIV
+CLASS="NAVFOOTER"
+><HR
+ALIGN="LEFT"
+WIDTH="100%"><TABLE
+SUMMARY="Footer navigation table"
+WIDTH="100%"
+BORDER="0"
+CELLPADDING="0"
+CELLSPACING="0"
+><TR
+><TD
+WIDTH="33%"
+ALIGN="left"
+VALIGN="top"
+> </TD
+><TD
+WIDTH="34%"
+ALIGN="center"
+VALIGN="top"
+> </TD
+><TD
+WIDTH="33%"
+ALIGN="right"
+VALIGN="top"
+><A
+HREF="bibliography.html"
+ACCESSKEY="N"
+>Next</A
+></TD
+></TR
+><TR
+><TD
+WIDTH="33%"
+ALIGN="left"
+VALIGN="top"
+> </TD
+><TD
+WIDTH="34%"
+ALIGN="center"
+VALIGN="top"
+> </TD
+><TD
+WIDTH="33%"
+ALIGN="right"
+VALIGN="top"
+>Bibliography</TD
+></TR
+></TABLE
+></DIV
+></BODY
+></HTML
+>
\ No newline at end of file |