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1.4.1
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include
BALL
SCORING
TYPES
fresnoTypes.h
Go to the documentation of this file.
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#ifndef BALL_SCORING_COMMON_FRESNOTYPES_H
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#define BALL_SCORING_COMMON_FRESNOTYPES_H
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#include <
BALL/SCORING/COMMON/scoringTypes.h
>
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namespace
BALL
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{
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class
FresnoTypes
:
public
ScoringTypes
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{
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public
:
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enum
TypeAssignment
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{
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ASSIGNMENT__ELDRIDGE
,
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ASSIGNMENT__FRESNO
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};
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enum
FresnoType
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{
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UNKNOWN
,
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LIPOPHILIC
,
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HBOND_DONOR
,
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HBOND_ACCEPTOR_DONOR
,
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HBOND_ACCEPTOR
,
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HBOND_HYDROGEN
,
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POLAR
,
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METAL
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};
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FresnoTypes
(
ScoringComponent
& sc)
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;
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virtual
bool
setup
()
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;
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};
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}
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#endif // BALL_SCORING_COMMON_FRESNOTYPES_H
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