public abstract class MDLWriterBase
extends org.openscience.cdk.io.DefaultChemObjectWriter
Modifier and Type | Field and Description |
---|---|
protected SuperAtomContainer |
superAtomContainer
SuperAtomContainer
|
Constructor and Description |
---|
MDLWriterBase() |
Modifier and Type | Method and Description |
---|---|
protected static java.lang.String |
formatMDLFloat(float fl)
Formats a float to fit into the connection table and changes it to a
String.
|
protected static java.lang.String |
formatMDLInt(int i,
int l)
Formats an integer to fit into the connection table and changes it to a
String.
|
protected static java.lang.String |
formatMDLString(java.lang.String s,
int le)
Formats a String to fit into the connection table.
|
java.lang.String |
padLeft(java.lang.String string,
int length)
Returns a
String to which is prepended enough space (" ")
characters to make the total length equal to length . |
java.lang.String |
padRight(java.lang.String string,
int length)
Returns a
String to which is appended enough space (" ")
characters to make the total length equal to length . |
protected void |
writeAtomValue(java.io.BufferedWriter writer,
org.openscience.cdk.interfaces.IAtomContainer container) |
protected void |
writeFormalAtomicCharges(java.io.BufferedWriter writer,
org.openscience.cdk.interfaces.IAtomContainer container) |
protected void |
writeFormalIsotope(java.io.BufferedWriter writer,
org.openscience.cdk.interfaces.IAtomContainer container) |
protected void |
writeRGroups(java.io.BufferedWriter writer,
java.util.List<java.lang.Integer> rgroupList) |
protected void |
writeSgroupProperty(org.openscience.cdk.interfaces.IAtomContainer molecule,
java.io.BufferedWriter writer) |
addChemObjectIOListener, addSetting, addSettings, fireIOSettingQuestion, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
protected SuperAtomContainer superAtomContainer
protected static java.lang.String formatMDLInt(int i, int l)
i
- The int to be formatedl
- Length of the Stringprotected static java.lang.String formatMDLFloat(float fl)
fl
- The float to be formatedprotected static java.lang.String formatMDLString(java.lang.String s, int le)
s
- The String to be formatedle
- The length of the Stringpublic java.lang.String padRight(java.lang.String string, int length)
String
to which is appended enough space (" ")
characters to make the total length equal to length
. If the
length of string
is greater than length
, then
string
is returned with no modifications.string
- a string to operate onlength
- the desired final length of the stringstring
public java.lang.String padLeft(java.lang.String string, int length)
String
to which is prepended enough space (" ")
characters to make the total length equal to length
. If the
length of string
is greater than length
, then
string
is returned with no modifications.string
- a string to operate onlength
- the desired final length of the stringstring
protected void writeAtomValue(java.io.BufferedWriter writer, org.openscience.cdk.interfaces.IAtomContainer container) throws java.io.IOException
writer
- container
- java.io.IOException
protected void writeFormalAtomicCharges(java.io.BufferedWriter writer, org.openscience.cdk.interfaces.IAtomContainer container) throws java.io.IOException
writer
- container
- java.io.IOException
protected void writeFormalIsotope(java.io.BufferedWriter writer, org.openscience.cdk.interfaces.IAtomContainer container) throws java.io.IOException
writer
- container
- java.io.IOException
protected void writeRGroups(java.io.BufferedWriter writer, java.util.List<java.lang.Integer> rgroupList) throws java.io.IOException
writer
- rgroupList
- java.io.IOException
protected void writeSgroupProperty(org.openscience.cdk.interfaces.IAtomContainer molecule, java.io.BufferedWriter writer) throws java.io.IOException
molecule
- writer
- java.io.IOException