public class SDMolSupplier extends ForwardSDMolSupplier
swigCMemOwn
Modifier | Constructor and Description |
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SDMolSupplier() |
protected |
SDMolSupplier(long cPtr,
boolean cMemoryOwn) |
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SDMolSupplier(java.lang.String fileName) |
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SDMolSupplier(java.lang.String fileName,
boolean sanitize) |
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SDMolSupplier(java.lang.String fileName,
boolean sanitize,
boolean removeHs) |
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SDMolSupplier(java.lang.String fileName,
boolean sanitize,
boolean removeHs,
boolean strictParsing) |
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SDMolSupplier(SWIGTYPE_p_std__istream inStream) |
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SDMolSupplier(SWIGTYPE_p_std__istream inStream,
boolean takeOwnership) |
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SDMolSupplier(SWIGTYPE_p_std__istream inStream,
boolean takeOwnership,
boolean sanitize) |
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SDMolSupplier(SWIGTYPE_p_std__istream inStream,
boolean takeOwnership,
boolean sanitize,
boolean removeHs) |
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SDMolSupplier(SWIGTYPE_p_std__istream inStream,
boolean takeOwnership,
boolean sanitize,
boolean removeHs,
boolean strictParsing) |
Modifier and Type | Method and Description |
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boolean |
atEnd() |
void |
delete() |
protected void |
finalize() |
protected static long |
getCPtr(SDMolSupplier obj) |
java.lang.String |
getItemText(long idx) |
void |
init() |
long |
length() |
void |
moveTo(long idx) |
ROMol |
next() |
void |
reset() |
void |
setData(java.lang.String text) |
void |
setData(java.lang.String text,
boolean sanitize) |
void |
setData(java.lang.String text,
boolean sanitize,
boolean removeHs) |
void |
setData(java.lang.String text,
boolean sanitize,
boolean removeHs,
boolean strictParsing) |
void |
setStreamIndices(SWIGTYPE_p_std__vectorT_std__streampos_t locs)
Resets our internal state and sets the indices of molecules in the stream.
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getCPtr, getEOFHitOnRead, getProcessPropertyLists, setProcessPropertyLists
getCPtr
protected SDMolSupplier(long cPtr, boolean cMemoryOwn)
public SDMolSupplier()
public SDMolSupplier(java.lang.String fileName, boolean sanitize, boolean removeHs, boolean strictParsing)
public SDMolSupplier(java.lang.String fileName, boolean sanitize, boolean removeHs)
fileName
- - the name of the SD file
sanitize - if true sanitize the molecule before returning it
removeHs - if true remove Hs from the molecule before returning it (triggers sanitization)public SDMolSupplier(java.lang.String fileName, boolean sanitize)
fileName
- - the name of the SD file
sanitize - if true sanitize the molecule before returning it
removeHs - if true remove Hs from the molecule before returning it (triggers sanitization)public SDMolSupplier(java.lang.String fileName)
fileName
- - the name of the SD file
sanitize - if true sanitize the molecule before returning it
removeHs - if true remove Hs from the molecule before returning it (triggers sanitization)public SDMolSupplier(SWIGTYPE_p_std__istream inStream, boolean takeOwnership, boolean sanitize, boolean removeHs, boolean strictParsing)
public SDMolSupplier(SWIGTYPE_p_std__istream inStream, boolean takeOwnership, boolean sanitize, boolean removeHs)
public SDMolSupplier(SWIGTYPE_p_std__istream inStream, boolean takeOwnership, boolean sanitize)
public SDMolSupplier(SWIGTYPE_p_std__istream inStream, boolean takeOwnership)
public SDMolSupplier(SWIGTYPE_p_std__istream inStream)
protected static long getCPtr(SDMolSupplier obj)
protected void finalize()
finalize
in class ForwardSDMolSupplier
public void delete()
delete
in class ForwardSDMolSupplier
public void init()
init
in class ForwardSDMolSupplier
public void reset()
reset
in class ForwardSDMolSupplier
public ROMol next()
next
in class ForwardSDMolSupplier
public boolean atEnd()
atEnd
in class ForwardSDMolSupplier
public void moveTo(long idx)
public java.lang.String getItemText(long idx)
idx
- - which item to returnpublic long length()
public void setData(java.lang.String text, boolean sanitize, boolean removeHs)
public void setData(java.lang.String text, boolean sanitize)
public void setData(java.lang.String text)
public void setData(java.lang.String text, boolean sanitize, boolean removeHs, boolean strictParsing)
public void setStreamIndices(SWIGTYPE_p_std__vectorT_std__streampos_t locs)
Resets our internal state and sets the indices of molecules in the stream. The client should be *very* careful about calling this method, as it's trivial to end up with a completely useless supplier.
locs
- - the vector of stream positions.