glydevkit 0.2.1-java → 0.2.3-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: 23336c4edf9c00d05f8f299a7c9137d302ee531984ca08ccb59cb2079bdc5a27
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4
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data.tar.gz: fd4613dfedafb3f8c4cdda1b7e9de787fe3eb3c0c2ccdb0506126479005af5da
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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: b7e3e97bfee391031c02340b0be9dc6e1b835099c682d7d36331b90608b6b9c720618cfee96b847436af8430681de880de0c6d02076059d1fdd5ffcea393b129
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7
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data.tar.gz: 98e19870ac31110d415292d72f600dfb7ef19a737b15aa7f9d70d4c69482af7db4a473cc59d30afad8a1ac864c21da71ee8586c314fd51e9573e028d3147091f
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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).toSvgStr
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return depiction_gen.withSize(30, 30).depict(molecule).toSvgStr.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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