ChemCompProvider
public class ZipChemCompProvider extends java.lang.Object implements ChemCompProvider
Constructor | Description |
---|---|
ZipChemCompProvider(java.lang.String chemicalComponentDictionaryFile,
java.lang.String tempDir) |
ZipChemCompProvider is a Chemical Component provider that stores chemical components
in a zip archive.
|
Modifier and Type | Method | Description |
---|---|---|
ChemComp |
getChemComp(java.lang.String recordName) |
Returns a new instance of a chemical component definition.
|
static void |
purgeTempFiles(java.lang.String tempdir) |
Cleanup chemical component (.cif.gz) files downloaded to tmpdir.
|
void |
setRemoveCif(boolean doRemove) |
Remove downloaded .cif.gz after adding to zip archive?
Default is true.
|
public ZipChemCompProvider(java.lang.String chemicalComponentDictionaryFile, java.lang.String tempDir) throws java.io.IOException
chemicalComponentDictionaryFile
- : path to zip archive for chemical components.tempDir
- : path for temporary directory, (null) defaults to path in property "java.io.tmpdir".java.io.IOException
public void setRemoveCif(boolean doRemove)
doRemove
- public ChemComp getChemComp(java.lang.String recordName)
ChemCompProvider
getChemComp
in interface ChemCompProvider
recordName
- the ID of the ChemComp
ChemComp
definition.public static void purgeTempFiles(java.lang.String tempdir)
tempdir
- : path to temporary directory for chemical components