@PublicAPI public class MolfileUtil extends java.lang.Object
Modifier and Type | Field and Description |
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static java.lang.String[] |
SGROUP_TYPENAMES
Array of S-group type names.
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Constructor and Description |
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MolfileUtil() |
Modifier and Type | Method and Description |
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static int |
codeHIsotopeMass(int originalCode,
int massNo)
Add mass number information to the given code.
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static int |
decodeHIsotopeMass(int code)
Extract H isotope information from the given Chemaxon compressed mol format
code of the atom.
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static java.lang.Integer |
getSgroupType(java.lang.String name)
Gets the S-group type.
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static boolean |
isSpecBeilsteinGeneric(java.lang.String s)
Tests whether the specified symbol is a Beilstein Generic except
A, Q and X.
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static byte[] |
MDLCT2MDL(byte[] data)
Converts an MDLCT data to MDL.
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public static final java.lang.String[] SGROUP_TYPENAMES
public static java.lang.Integer getSgroupType(java.lang.String name)
name
- the S-group type namenull
for invalid type namepublic static boolean isSpecBeilsteinGeneric(java.lang.String s)
s
- the S-group type namenull
for invalid type namepublic static int decodeHIsotopeMass(int code)
code
- given codepublic static int codeHIsotopeMass(int originalCode, int massNo)
originalCode
- the code to which mass number is addedmassNo
- the mass numberpublic static final byte[] MDLCT2MDL(byte[] data) throws java.io.IOException
data
- the clipboard transferable MDL bytesjava.io.IOException