glydevkit 0.2.1-java → 0.2.2-java
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- checksums.yaml +4 -4
- data/lib/glydevkit/cdk.rb +2 -2
- metadata +1 -1
checksums.yaml
CHANGED
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@@ -1,7 +1,7 @@
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1
1
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---
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2
2
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SHA256:
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3
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-
metadata.gz:
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4
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-
data.tar.gz:
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3
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+
metadata.gz: ac4a870a4c76405dff80f0d340ecd99473a5710ca78c2d10694184a8d7039fd5
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4
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data.tar.gz: ea0d3505095b3b369d9e6d7967cea6e16b19ac6f0695104227cbdaa3705568f1
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5
5
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SHA512:
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6
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-
metadata.gz:
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7
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-
data.tar.gz:
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6
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+
metadata.gz: '097e50b184ef09c1e81ca7523b7a3e8b5258986ba55b3697968f4969e406cdac0689804e5c8deb79f9f47e00add448778bd3b265b0d271c8fd47519db3704274'
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7
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data.tar.gz: efadd9b05efceed03d34d4148ff8aaace1b63b18964674dc58b56e2432245d26a3df5216cadc780a6570b00a8d1d619ad06004badfbe2e3e9e3ef5c733198fd5
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data/lib/glydevkit/cdk.rb
CHANGED
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@@ -20,7 +20,7 @@ module GlyDevKit
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end
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end
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-
def mol2svg(smiles)
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23
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+
def mol2svg(smiles,scale)
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begin
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sp = SmilesParser.new(DefaultChemObjectBuilder.getInstance)
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@@ -31,7 +31,7 @@ module GlyDevKit
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molecule = sdg.molecule
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depiction_gen = DepictionGenerator.new
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34
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-
return depiction_gen.withSize(30, 30).depict(molecule).
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34
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return depiction_gen.withSize(30, 30).depict(molecule).toSvg.sub(/width=\'30.0mm\' height=\'30.0mm\' /,"/width='#{30 * scale}.0mm' height='#{30 * scale}.0mm'")
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rescue => e
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puts e.message
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