Doc: Add warnings to non-transitive fingerprints that cannot be used for substructure screening.

johnmay · johnmay · commit 82cb4f8d4928 · 2020-02-20T15:26:23.000Z
diff --git a/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/CircularFingerprinter.java b/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/CircularFingerprinter.java
@@ -80,6 +80,11 @@
  *  
  *  <p>The fingerprints and their uses have been described in Clark et al. {@cdk.cite Clark2014}.
  *
+ * <br/>
+ * <b>
+ * Important! this fingerprint can not be used for substructure screening.
+ * </b>
+ *
  * @author         am.clark
  * @cdk.created    2014-01-01
  * @cdk.keyword    fingerprint
diff --git a/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/EStateFingerprinter.java b/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/EStateFingerprinter.java
@@ -49,6 +49,10 @@
  * filtering. It is possible for some keys to match substructures and not match
  * the superstructures. Some keys check for hydrogen counts which may not be
  * preserved in a superstructure.</b>
+ * <br/>
+ * <b>
+ * Important! this fingerprint can not be used for substructure screening.
+ * </b>
  *
  * @author Rajarhi Guha
  * @cdk.created 2008-07-23
diff --git a/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/PubchemFingerprinter.java b/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/PubchemFingerprinter.java
@@ -75,9 +75,13 @@
  * which was {@code [#6](~[#6])(~[#6])(~[#6])([H])} and is rewritten as
  * {@code [#6H1](~[#6])(~[#6])(~[#6])}.
  * 
- *
+ * <br/>
  * <b>Warning - this class is not thread-safe and uses stores intermediate steps
  * internally. Please use a separate instance of the class for each thread.</b>
+ * <br/>
+ * <b>
+ * Important! this fingerprint can not be used for substructure screening.
+ * </b>
  *
  * @author Rajarshi Guha
  * @cdk.keyword fingerprint
diff --git a/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/ShortestPathFingerprinter.java b/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/ShortestPathFingerprinter.java
@@ -72,6 +72,10 @@
  * malformed symbols are present, their atomic number is taken as one more than the last element currently supported in {@link PeriodicTable}.
  * </P>
  *
+ * <br/>
+ * <b>
+ * Important! this fingerprint can not be used for substructure screening.
+ * </b>
  *
  * @author Syed Asad Rahman (2012)
  * @cdk.keyword fingerprint

Original file line number	Diff line number	Diff line change
`@@ -80,6 +80,11 @@`
`80`	`80`	`*`
`81`	`81`	`* <p>The fingerprints and their uses have been described in Clark et al. {@cdk.cite Clark2014}.`
`82`	`82`	`*`
	`83`	`+ * <br/>`
	`84`	`+ * <b>`
	`85`	`+ * Important! this fingerprint can not be used for substructure screening.`
	`86`	`+ * </b>`
	`87`	`+ *`
`83`	`88`	`* @author am.clark`
`84`	`89`	`* @cdk.created 2014-01-01`
`85`	`90`	`* @cdk.keyword fingerprint`
Original file line number	Diff line number	Diff line change
`@@ -72,6 +72,10 @@`
`72`	`72`	`* malformed symbols are present, their atomic number is taken as one more than the last element currently supported in {@link PeriodicTable}.`
`73`	`73`	`* </P>`
`74`	`74`	`*`
	`75`	`+ * <br/>`
	`76`	`+ * <b>`
	`77`	`+ * Important! this fingerprint can not be used for substructure screening.`
	`78`	`+ * </b>`
`75`	`79`	`*`
`76`	`80`	`* @author Syed Asad Rahman (2012)`
`77`	`81`	`* @cdk.keyword fingerprint`