public class SmilesWriter extends MolWriter
swigCMemOwn
Modifier | Constructor and Description |
---|---|
protected |
SmilesWriter(long cPtr,
boolean cMemoryOwn) |
|
SmilesWriter(java.lang.String fileName) |
|
SmilesWriter(java.lang.String fileName,
java.lang.String delimiter) |
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SmilesWriter(java.lang.String fileName,
java.lang.String delimiter,
java.lang.String nameHeader) |
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SmilesWriter(java.lang.String fileName,
java.lang.String delimiter,
java.lang.String nameHeader,
boolean includeHeader) |
|
SmilesWriter(java.lang.String fileName,
java.lang.String delimiter,
java.lang.String nameHeader,
boolean includeHeader,
boolean isomericSmiles) |
|
SmilesWriter(java.lang.String fileName,
java.lang.String delimiter,
java.lang.String nameHeader,
boolean includeHeader,
boolean isomericSmiles,
boolean kekuleSmiles) |
|
SmilesWriter(SWIGTYPE_p_std__ostream outStream)
This is an overloaded member function, provided for convenience.
|
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SmilesWriter(SWIGTYPE_p_std__ostream outStream,
java.lang.String delimiter)
This is an overloaded member function, provided for convenience.
|
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SmilesWriter(SWIGTYPE_p_std__ostream outStream,
java.lang.String delimiter,
java.lang.String nameHeader)
This is an overloaded member function, provided for convenience.
|
|
SmilesWriter(SWIGTYPE_p_std__ostream outStream,
java.lang.String delimiter,
java.lang.String nameHeader,
boolean includeHeader)
This is an overloaded member function, provided for convenience.
|
|
SmilesWriter(SWIGTYPE_p_std__ostream outStream,
java.lang.String delimiter,
java.lang.String nameHeader,
boolean includeHeader,
boolean takeOwnership)
This is an overloaded member function, provided for convenience.
|
|
SmilesWriter(SWIGTYPE_p_std__ostream outStream,
java.lang.String delimiter,
java.lang.String nameHeader,
boolean includeHeader,
boolean takeOwnership,
boolean isomericSmiles)
This is an overloaded member function, provided for convenience.
|
|
SmilesWriter(SWIGTYPE_p_std__ostream outStream,
java.lang.String delimiter,
java.lang.String nameHeader,
boolean includeHeader,
boolean takeOwnership,
boolean isomericSmiles,
boolean kekuleSmiles)
This is an overloaded member function, provided for convenience.
|
Modifier and Type | Method and Description |
---|---|
void |
close() |
void |
delete() |
protected void |
finalize() |
void |
flush() |
protected static long |
getCPtr(SmilesWriter obj) |
long |
numMols() |
void |
setProps(Str_Vect propNames) |
void |
write(ROMol mol) |
void |
write(ROMol mol,
int confId) |
protected SmilesWriter(long cPtr, boolean cMemoryOwn)
public SmilesWriter(java.lang.String fileName, java.lang.String delimiter, java.lang.String nameHeader, boolean includeHeader, boolean isomericSmiles, boolean kekuleSmiles)
public SmilesWriter(java.lang.String fileName, java.lang.String delimiter, java.lang.String nameHeader, boolean includeHeader, boolean isomericSmiles)
public SmilesWriter(java.lang.String fileName, java.lang.String delimiter, java.lang.String nameHeader, boolean includeHeader)
public SmilesWriter(java.lang.String fileName, java.lang.String delimiter, java.lang.String nameHeader)
public SmilesWriter(java.lang.String fileName, java.lang.String delimiter)
public SmilesWriter(java.lang.String fileName)
public SmilesWriter(SWIGTYPE_p_std__ostream outStream, java.lang.String delimiter, java.lang.String nameHeader, boolean includeHeader, boolean takeOwnership, boolean isomericSmiles, boolean kekuleSmiles)
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
public SmilesWriter(SWIGTYPE_p_std__ostream outStream, java.lang.String delimiter, java.lang.String nameHeader, boolean includeHeader, boolean takeOwnership, boolean isomericSmiles)
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
public SmilesWriter(SWIGTYPE_p_std__ostream outStream, java.lang.String delimiter, java.lang.String nameHeader, boolean includeHeader, boolean takeOwnership)
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
public SmilesWriter(SWIGTYPE_p_std__ostream outStream, java.lang.String delimiter, java.lang.String nameHeader, boolean includeHeader)
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
public SmilesWriter(SWIGTYPE_p_std__ostream outStream, java.lang.String delimiter, java.lang.String nameHeader)
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
public SmilesWriter(SWIGTYPE_p_std__ostream outStream, java.lang.String delimiter)
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
public SmilesWriter(SWIGTYPE_p_std__ostream outStream)
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
protected static long getCPtr(SmilesWriter obj)