Latest SMSD code 1.2.0: Major changes are:

b) Optimised Substructure search c) Hanser Ring detection f) MolHandler fixed e) Matchers introduced f) Canonical Signatures used g) ChemFilter fixed h) IQueryAtomContainer and IQuery introduced i) IBond maps provided j) subgraphs check fixed k) Isomorphism code named as main SMSD code l) Turbo Substructure search mode introduced Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Aug 29, 2010 · 7217e82 · 7217e82
1 parent e2c8329
commit 7217e82
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Showing 149 changed files with 8,671 additions and 5,136 deletions.
diff --git a/src/META-INF/fingerprint.cdkdepends b/src/META-INF/fingerprint.cdkdepends
@@ -7,3 +7,4 @@ cdk-isomorphism.jar
 cdk-valencycheck.jar
 cdk-smarts.jar
 cdk-formula.jar
+cdk-smsd.jar
diff --git a/src/META-INF/signature.cdkdepends b/src/META-INF/signature.cdkdepends
@@ -1,2 +1,3 @@
 cdk-annotation.jar
 cdk-interfaces.jar
+cdk-core.jar
diff --git a/src/META-INF/smarts.cdkdepends b/src/META-INF/smarts.cdkdepends
@@ -7,3 +7,4 @@ cdk-standard.jar
 cdk-valencycheck.jar
 cdk-isomorphism.jar
 cdk-extra.jar
+cdk-smsd.jar
diff --git a/src/META-INF/smsd.cdkdepends b/src/META-INF/smsd.cdkdepends
@@ -6,3 +6,5 @@ cdk-data.jar
 cdk-io.jar
 cdk-sdg.jar
 cdk-smiles.jar
+cdk-valencycheck.jar
+cdk-signature.jar
diff --git a/src/META-INF/smsd.libdepends b/src/META-INF/smsd.libdepends
@@ -1,2 +1,3 @@
 vecmath1.2-1.14.jar
 commons-cli-1.0.jar
+signatures-1.0.jar
diff --git a/src/META-INF/test-signature.cdkdepends b/src/META-INF/test-signature.cdkdepends
@@ -10,3 +10,4 @@ cdk-smiles.jar
 cdk-extra.jar
 cdk-test.jar
 cdk-signature.jar
+cdk-core.jar
diff --git a/src/META-INF/test-smiles.cdkdepends b/src/META-INF/test-smiles.cdkdepends
@@ -17,3 +17,4 @@ cdk-libiocml.jar
 cdk-test-io.jar
 cdk-testdata.jar
 cdk-isomorphism.jar
+cdk-smsd.jar
diff --git a/src/META-INF/test-smsd.libdepends b/src/META-INF/test-smsd.libdepends
@@ -2,3 +2,4 @@ vecmath1.2-1.14.jar
 commons-cli-1.0.jar
 log4j.jar
 jgrapht-0.6.0.jar
+signatures-1.0.jar