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Update SMARTS pattern API - for common usage we normally just pass in…
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… null.
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johnmay committed Aug 16, 2016
1 parent 6582393 commit 67ffd0a
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Original file line number Diff line number Diff line change
Expand Up @@ -189,6 +189,17 @@ public static SmartsPattern create(String smarts, IChemObjectBuilder builder) th
return new SmartsPattern(smarts, builder);
}

/**
* Default SMARTS pattern constructor, passes in a null chem object builder.
*
* @param smarts SMARTS pattern string
* @return a SMARTS pattern
* @throws IOException problem with SMARTS string syntax/semantics
*/
public static SmartsPattern create(String smarts) throws IOException {
return new SmartsPattern(smarts, null);
}

/**
* Checks a smarts string for !R, R<num> or r<num>. If found then the more
* expensive ring info needs to be initlised before querying.
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