ambit2.smarts

Class SmartsConst

java.lang.Object

ambit2.smarts.SmartsConst

public class SmartsConst
extends Object

Author:

Nikolay Kochev nick@uni-plovdiv.bg

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	SmartsConst.HandleHAtoms
static class	SmartsConst.SSM_MODE

Field Summary

Fields

Modifier and Type	Field and Description
static int	ABSOLUTE_CIS
static int	ABSOLUTE_TRANS
static int	AP_a
static int	AP_A
static int	AP_ANY
static int	AP_AtNum
static int	AP_Charge
static int	AP_Chiral
static int	AP_D
static int	AP_GMOE
static int	AP_h
static int	AP_H
static int	AP_iMOE
static int	AP_Mass
static int	AP_NMOE
static int	AP_OB_Hybr
static int	AP_r
static int	AP_R
static int	AP_Recursive
static int	AP_v
static int	AP_vMOE
static int	AP_x
static int	AP_X
static int	AP_XMOE
static char[]	AtomPrimChars
static char[]	BondChars
static int	BT_ANY
static int	BT_AROMATIC
static int	BT_CIS
static int	BT_CISUNSPEC
static int	BT_DOUBLE
static int	BT_DOWN
static int	BT_DOWNUNSPEC
static int	BT_RING
static int	BT_SINGLE
static int	BT_TRANS
static int	BT_TRANSUNSPEC
static int	BT_TRIPLE
static int	BT_UNDEFINED
static int	BT_UP
static int	BT_UPUNSPEC
static int	ChC_AntiClock
static int	ChC_Clock
static int	ChC_R
static int	ChC_S
static int	ChC_Unspec
static String[]	elSymbols
static int	LO
static int	LO_AND
static int	LO_ANDLO
static int	LO_NOT
static int	LO_OR
static int	LO_UNDEFINED
static char[]	LogOperationChars
static int[][]	priority
static int	SMRK_UNSPEC_ATOM

Constructor Summary

Constructors

Constructor and Description
SmartsConst()

Method Summary

Modifier and Type	Method and Description
static String	bondDirectionToString(int direction)
static int	getBondCharNumber(char ch)
static int	getElementNumber(String symbol)
static int	getElementNumberFromChar(char symbol)
static int	getLogOperationCharNumber(char ch)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

ABSOLUTE_CIS

public static final int ABSOLUTE_CIS

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Constant Field Values

ABSOLUTE_TRANS

public static final int ABSOLUTE_TRANS

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Constant Field Values

LogOperationChars

public static char[] LogOperationChars

LO_NOT

public static final int LO_NOT

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Constant Field Values

LO_AND

public static final int LO_AND

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LO_OR

public static final int LO_OR

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LO_ANDLO

public static final int LO_ANDLO

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Constant Field Values

LO_UNDEFINED

public static final int LO_UNDEFINED

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Constant Field Values

LO

public static final int LO

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Constant Field Values

AtomPrimChars

public static char[] AtomPrimChars

AP_ANY

public static final int AP_ANY

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Constant Field Values

AP_a

public static final int AP_a

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AP_A

public static final int AP_A

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AP_D

public static final int AP_D

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AP_H

public static final int AP_H

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AP_h

public static final int AP_h

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AP_R

public static final int AP_R

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AP_r

public static final int AP_r

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AP_v

public static final int AP_v

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AP_X

public static final int AP_X

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AP_Charge

public static final int AP_Charge

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Constant Field Values

AP_AtNum

public static final int AP_AtNum

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AP_Chiral

public static final int AP_Chiral

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AP_Mass

public static final int AP_Mass

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AP_Recursive

public static final int AP_Recursive

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AP_x

public static final int AP_x

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AP_iMOE

public static final int AP_iMOE

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AP_GMOE

public static final int AP_GMOE

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AP_XMOE

public static final int AP_XMOE

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AP_NMOE

public static final int AP_NMOE

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AP_vMOE

public static final int AP_vMOE

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AP_OB_Hybr

public static final int AP_OB_Hybr

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Constant Field Values

BondChars

public static char[] BondChars

BT_ANY

public static final int BT_ANY

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BT_SINGLE

public static final int BT_SINGLE

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BT_DOUBLE

public static final int BT_DOUBLE

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BT_TRIPLE

public static final int BT_TRIPLE

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BT_AROMATIC

public static final int BT_AROMATIC

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BT_RING

public static final int BT_RING

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BT_UP

public static final int BT_UP

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BT_DOWN

public static final int BT_DOWN

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BT_UPUNSPEC

public static final int BT_UPUNSPEC

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BT_DOWNUNSPEC

public static final int BT_DOWNUNSPEC

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BT_CIS

public static final int BT_CIS

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BT_CISUNSPEC

public static final int BT_CISUNSPEC

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BT_TRANS

public static final int BT_TRANS

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BT_TRANSUNSPEC

public static final int BT_TRANSUNSPEC

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BT_UNDEFINED

public static final int BT_UNDEFINED

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ChC_Unspec

public static final int ChC_Unspec

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ChC_AntiClock

public static final int ChC_AntiClock

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ChC_Clock

public static final int ChC_Clock

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ChC_R

public static final int ChC_R

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ChC_S

public static final int ChC_S

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SMRK_UNSPEC_ATOM

public static final int SMRK_UNSPEC_ATOM

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Constant Field Values

priority

public static int[][] priority

elSymbols

public static String[] elSymbols

Constructor Detail

SmartsConst

public SmartsConst()

Method Detail

getLogOperationCharNumber

public static int getLogOperationCharNumber(char ch)

getBondCharNumber

public static int getBondCharNumber(char ch)

getElementNumber

public static int getElementNumber(String symbol)

getElementNumberFromChar

public static int getElementNumberFromChar(char symbol)

bondDirectionToString

public static String bondDirectionToString(int direction)