Safe Haskell	Safe-Inferred
Language	Haskell2010

Models

Description

This module defines the core data types and structures used throughout the application for representing chemical reactions, mechanisms, and interactants. It includes various identifiers, relationship types, and masks for data handling, as well as details on the process and health checks.

Exports

ReactionID, CatalystID, MoleculeID - Unique identifiers for reactions, catalysts, and molecules.
ACCELERATE, PRODUCT_FROM, REAGENT_IN - Relationship types that define connections between reactions and interactants.
Reaction, Catalyst, Molecule - Data types representing different chemical entities and their relationships.
Interactant, Explain - Types for handling interactants and mechanism explanations in the context of reactions.
NodeMask, PathMask, RawMechanismDetailsMask, RawReactionDetailsMask, RelMask - WEB masks to abstract away direct types from the Hasbolt library for better type safety and ease of use.
ReactionDetails, MechanismDetails, ProcessDetails - Data types that encapsulate detailed information about reactions and mechanisms.
ReactionNode, MechanismNode, RawReactionDetails, RawMechanismDetails - Nodes representing the raw data structures in the graph database.
MechanismID, StageID - Identifiers for mechanisms and stages within those mechanisms.
HealthCheck - Type used for performing health checks on the database connection.

Synopsis

type ReactionID = Int
type CatalystID = Int
type MoleculeID = Int
data ACCELERATE = ACCELERATE {
- temperature :: [Float]
- pressure :: [Float]
}
data Catalyst = Catalyst {
- catalystId :: CatalystID
- catalystSmiles :: String
- catalystName :: Maybe String
}
data Molecule = Molecule {
- moleculeId :: MoleculeID
- moleculeSmiles :: String
- moleculeIupacName :: String
}
newtype PRODUCT_FROM = PRODUCT_FROM {
- productAmount :: Float
}
newtype REAGENT_IN = REAGENT_IN {
- reagentAmount :: Float
}
data Reaction = Reaction {
- reactionId :: ReactionID
- reactionName :: String
}
data Interactant
- = IAccelerate ACCELERATE
- | ICatalyst Catalyst
- | IMolecule Molecule
- | IProductFrom PRODUCT_FROM
- | IReagentIn REAGENT_IN
- | IReaction Reaction
data Explain
- = EMechanism Mechanism
- | EStage Stage
newtype NodeMask = NodeMask {
- nodePropsMask :: Map Text Value
}
data PathMask = PathMask {
- pathNodesMask :: [Interactant]
- pathRelationshipsMask :: [Interactant]
- pathSequenceMask :: [Int]
}
data RawMechanismDetailsMask = RawMechanismDetailsMask {
- rawMechanismMask :: NodeMask
- rawContextMask :: RelMask
- rawStagesMask :: [NodeMask]
- rawIncludeMask :: [RelMask]
- rawParticipantsMask :: [NodeMask]
}
data RawReactionDetailsMask = RawReactionDetailsMask {
- rawReactionMask :: NodeMask
- rawReagentsMask :: [NodeMask]
- rawProductsMask :: [NodeMask]
- rawInboundMask :: [RelMask]
- rawOutboundMask :: [RelMask]
- rawAccelerateMask :: [RelMask]
- rawCatalystsMask :: [NodeMask]
}
newtype RelMask = RelMask {
- relPropsMask :: Map Text Value
}
data ReactionDetails = ReactionDetails {
- reaction :: Reaction
- inboundReagents :: [(REAGENT_IN, Molecule)]
- outboundProducts :: [(PRODUCT_FROM, Molecule)]
- conditions :: [(ACCELERATE, Catalyst)]
}
data MechanismDetails = MechanismDetails {
- mechanismContext :: (Mechanism, FOLLOW)
- stageInteractants :: [(Stage, [Interactant])]
}
data ProcessDetails = ProcessDetails {
- reactionDetails :: ReactionDetails
- mechanismDetails :: MechanismDetails
}
type ReactionNode = Node
type MechanismNode = Node
data RawReactionDetails = RawReactionDetails {
- rawReaction :: Node
- rawReagents :: [Node]
- rawProducts :: [Node]
- rawInbound :: [Relationship]
- rawOutbound :: [Relationship]
- rawAccelerate :: [Relationship]
- rawCatalysts :: [Node]
}
data RawMechanismDetails = RawMechanismDetails {
- rawMechanism :: Node
- rawInteractants :: [Node]
- rawInclude :: [Relationship]
- rawStages :: [Node]
- rawFollow :: Relationship
}
type MechanismID = Int
type StageID = Int
data Mechanism = Mechanism {
- mechanismId :: MechanismID
- mechanismName :: String
- mechanismType :: String
- mechanismActivationEnergy :: Float
}
newtype FOLLOW = FOLLOW {
- description :: String
}
data Stage = Stage {
- stageOrder :: StageID
- stageName :: String
- stageDescription :: String
- stageProducts :: [String]
}
data INCLUDE = INCLUDE
data HealthCheck = HealthCheck {
- status :: String
- message :: String
}

Documentation

type ReactionID = Int #

type CatalystID = Int #

type MoleculeID = Int #

data ACCELERATE #

def - the default value for ACCELERATE corresponds to Standard Temperature and Pressure (STP): - temperature = 273.15 K (Kelvin) - pressure = 101.325 kPa (kilopascals)

Constructors

ACCELERATE
Fields temperature :: [Float] pressure :: [Float]

Instances

Instances details

FromJSON ACCELERATE #
Instance details Defined in Models.Chemical Methods parseJSON :: Value -> Parser ACCELERATE # parseJSONList :: Value -> Parser [ACCELERATE] # omittedField :: Maybe ACCELERATE #
ToJSON ACCELERATE #
Instance details Defined in Models.Chemical Methods toJSON :: ACCELERATE -> Value # toEncoding :: ACCELERATE -> Encoding # toJSONList :: [ACCELERATE] -> Value # toEncodingList :: [ACCELERATE] -> Encoding # omitField :: ACCELERATE -> Bool #
Generic ACCELERATE #
Instance details Defined in Models.Chemical Associated Types type Rep ACCELERATE :: Type -> Type # Methods from :: ACCELERATE -> Rep ACCELERATE x # to :: Rep ACCELERATE x -> ACCELERATE #
Show ACCELERATE #
Instance details Defined in Models.Chemical Methods showsPrec :: Int -> ACCELERATE -> ShowS # show :: ACCELERATE -> String # showList :: [ACCELERATE] -> ShowS #
Default ACCELERATE #
Instance details Defined in Models.Chemical Methods def :: ACCELERATE #
Eq ACCELERATE #
Instance details Defined in Models.Chemical Methods (==) :: ACCELERATE -> ACCELERATE -> Bool # (/=) :: ACCELERATE -> ACCELERATE -> Bool #
ElemInteractant (ACCELERATE, Identity) #	Converts a Neo4j relationship of type ACCELERATE to a Haskell `ACCELERATE` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (ACCELERATE, Identity) #
type Rep ACCELERATE #
Instance details Defined in Models.Chemical type Rep ACCELERATE = D1 ('MetaData "ACCELERATE" "Models.Chemical" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "ACCELERATE" 'PrefixI 'True) (S1 ('MetaSel ('Just "temperature") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [Float]) :*: S1 ('MetaSel ('Just "pressure") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [Float])))

data Catalyst #

Constructors

Catalyst
Fields catalystId :: CatalystID catalystSmiles :: String catalystName :: Maybe String

Instances

Instances details

FromJSON Catalyst #
Instance details Defined in Models.Chemical Methods parseJSON :: Value -> Parser Catalyst # parseJSONList :: Value -> Parser [Catalyst] # omittedField :: Maybe Catalyst #
ToJSON Catalyst #
Instance details Defined in Models.Chemical Methods toJSON :: Catalyst -> Value # toEncoding :: Catalyst -> Encoding # toJSONList :: [Catalyst] -> Value # toEncodingList :: [Catalyst] -> Encoding # omitField :: Catalyst -> Bool #
Generic Catalyst #
Instance details Defined in Models.Chemical Associated Types type Rep Catalyst :: Type -> Type # Methods from :: Catalyst -> Rep Catalyst x # to :: Rep Catalyst x -> Catalyst #
Show Catalyst #
Instance details Defined in Models.Chemical Methods showsPrec :: Int -> Catalyst -> ShowS # show :: Catalyst -> String # showList :: [Catalyst] -> ShowS #
Default Catalyst #
Instance details Defined in Models.Chemical Methods def :: Catalyst #
Eq Catalyst #
Instance details Defined in Models.Chemical Methods (==) :: Catalyst -> Catalyst -> Bool # (/=) :: Catalyst -> Catalyst -> Bool #
ElemInteractant (Catalyst, Identity) #	Converts a Neo4j node with label Catalyst to a Haskell `Catalyst` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (Catalyst, Identity) #
type Rep Catalyst #
Instance details Defined in Models.Chemical type Rep Catalyst = D1 ('MetaData "Catalyst" "Models.Chemical" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "Catalyst" 'PrefixI 'True) (S1 ('MetaSel ('Just "catalystId") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 CatalystID) :: (S1 ('MetaSel ('Just "catalystSmiles") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String) :: S1 ('MetaSel ('Just "catalystName") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe String)))))

data Molecule #

Constructors

Molecule
Fields moleculeId :: MoleculeID moleculeSmiles :: String moleculeIupacName :: String

Instances

Instances details

FromJSON Molecule #
Instance details Defined in Models.Chemical Methods parseJSON :: Value -> Parser Molecule # parseJSONList :: Value -> Parser [Molecule] # omittedField :: Maybe Molecule #
ToJSON Molecule #
Instance details Defined in Models.Chemical Methods toJSON :: Molecule -> Value # toEncoding :: Molecule -> Encoding # toJSONList :: [Molecule] -> Value # toEncodingList :: [Molecule] -> Encoding # omitField :: Molecule -> Bool #
Generic Molecule #
Instance details Defined in Models.Chemical Associated Types type Rep Molecule :: Type -> Type # Methods from :: Molecule -> Rep Molecule x # to :: Rep Molecule x -> Molecule #
Show Molecule #
Instance details Defined in Models.Chemical Methods showsPrec :: Int -> Molecule -> ShowS # show :: Molecule -> String # showList :: [Molecule] -> ShowS #
Eq Molecule #
Instance details Defined in Models.Chemical Methods (==) :: Molecule -> Molecule -> Bool # (/=) :: Molecule -> Molecule -> Bool #
ElemInteractant (Molecule, Identity) #	Converts a Neo4j node with label Molecule to a Haskell `Molecule` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (Molecule, Identity) #
type Rep Molecule #
Instance details Defined in Models.Chemical type Rep Molecule = D1 ('MetaData "Molecule" "Models.Chemical" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "Molecule" 'PrefixI 'True) (S1 ('MetaSel ('Just "moleculeId") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 MoleculeID) :: (S1 ('MetaSel ('Just "moleculeSmiles") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String) :: S1 ('MetaSel ('Just "moleculeIupacName") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String))))

newtype PRODUCT_FROM #

Constructors

PRODUCT_FROM
Fields productAmount :: Float

Instances

Instances details

FromJSON PRODUCT_FROM #
Instance details Defined in Models.Chemical Methods parseJSON :: Value -> Parser PRODUCT_FROM # parseJSONList :: Value -> Parser [PRODUCT_FROM] # omittedField :: Maybe PRODUCT_FROM #
ToJSON PRODUCT_FROM #
Instance details Defined in Models.Chemical Methods toJSON :: PRODUCT_FROM -> Value # toEncoding :: PRODUCT_FROM -> Encoding # toJSONList :: [PRODUCT_FROM] -> Value # toEncodingList :: [PRODUCT_FROM] -> Encoding # omitField :: PRODUCT_FROM -> Bool #
Generic PRODUCT_FROM #
Instance details Defined in Models.Chemical Associated Types type Rep PRODUCT_FROM :: Type -> Type # Methods from :: PRODUCT_FROM -> Rep PRODUCT_FROM x # to :: Rep PRODUCT_FROM x -> PRODUCT_FROM #
Show PRODUCT_FROM #
Instance details Defined in Models.Chemical Methods showsPrec :: Int -> PRODUCT_FROM -> ShowS # show :: PRODUCT_FROM -> String # showList :: [PRODUCT_FROM] -> ShowS #
Eq PRODUCT_FROM #
Instance details Defined in Models.Chemical Methods (==) :: PRODUCT_FROM -> PRODUCT_FROM -> Bool # (/=) :: PRODUCT_FROM -> PRODUCT_FROM -> Bool #
ElemInteractant (PRODUCT_FROM, Identity) #	Converts a Neo4j relationship of type PRODUCT_FROM to a Haskell `PRODUCT_FROM` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (PRODUCT_FROM, Identity) #
type Rep PRODUCT_FROM #
Instance details Defined in Models.Chemical type Rep PRODUCT_FROM = D1 ('MetaData "PRODUCT_FROM" "Models.Chemical" "chemist-preprocessor-0.1.0.0-inplace" 'True) (C1 ('MetaCons "PRODUCT_FROM" 'PrefixI 'True) (S1 ('MetaSel ('Just "productAmount") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Float)))

newtype REAGENT_IN #

Constructors

REAGENT_IN
Fields reagentAmount :: Float

Instances

Instances details

FromJSON REAGENT_IN #
Instance details Defined in Models.Chemical Methods parseJSON :: Value -> Parser REAGENT_IN # parseJSONList :: Value -> Parser [REAGENT_IN] # omittedField :: Maybe REAGENT_IN #
ToJSON REAGENT_IN #
Instance details Defined in Models.Chemical Methods toJSON :: REAGENT_IN -> Value # toEncoding :: REAGENT_IN -> Encoding # toJSONList :: [REAGENT_IN] -> Value # toEncodingList :: [REAGENT_IN] -> Encoding # omitField :: REAGENT_IN -> Bool #
Generic REAGENT_IN #
Instance details Defined in Models.Chemical Associated Types type Rep REAGENT_IN :: Type -> Type # Methods from :: REAGENT_IN -> Rep REAGENT_IN x # to :: Rep REAGENT_IN x -> REAGENT_IN #
Show REAGENT_IN #
Instance details Defined in Models.Chemical Methods showsPrec :: Int -> REAGENT_IN -> ShowS # show :: REAGENT_IN -> String # showList :: [REAGENT_IN] -> ShowS #
Eq REAGENT_IN #
Instance details Defined in Models.Chemical Methods (==) :: REAGENT_IN -> REAGENT_IN -> Bool # (/=) :: REAGENT_IN -> REAGENT_IN -> Bool #
ElemInteractant (REAGENT_IN, Identity) #	Converts a Neo4j relationship of type REAGENT_IN to a Haskell `REAGENT_IN` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (REAGENT_IN, Identity) #
type Rep REAGENT_IN #
Instance details Defined in Models.Chemical type Rep REAGENT_IN = D1 ('MetaData "REAGENT_IN" "Models.Chemical" "chemist-preprocessor-0.1.0.0-inplace" 'True) (C1 ('MetaCons "REAGENT_IN" 'PrefixI 'True) (S1 ('MetaSel ('Just "reagentAmount") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Float)))

data Reaction #

Constructors

Reaction
Fields reactionId :: ReactionID reactionName :: String

Instances

Instances details

FromJSON Reaction #
Instance details Defined in Models.Chemical Methods parseJSON :: Value -> Parser Reaction # parseJSONList :: Value -> Parser [Reaction] # omittedField :: Maybe Reaction #
ToJSON Reaction #
Instance details Defined in Models.Chemical Methods toJSON :: Reaction -> Value # toEncoding :: Reaction -> Encoding # toJSONList :: [Reaction] -> Value # toEncodingList :: [Reaction] -> Encoding # omitField :: Reaction -> Bool #
Generic Reaction #
Instance details Defined in Models.Chemical Associated Types type Rep Reaction :: Type -> Type # Methods from :: Reaction -> Rep Reaction x # to :: Rep Reaction x -> Reaction #
Show Reaction #
Instance details Defined in Models.Chemical Methods showsPrec :: Int -> Reaction -> ShowS # show :: Reaction -> String # showList :: [Reaction] -> ShowS #
Eq Reaction #
Instance details Defined in Models.Chemical Methods (==) :: Reaction -> Reaction -> Bool # (/=) :: Reaction -> Reaction -> Bool #
ElemInteractant (Reaction, Identity) #	Converts a Neo4j node with label Reaction to a Haskell `Reaction` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (Reaction, Identity) #
type Rep Reaction #
Instance details Defined in Models.Chemical type Rep Reaction = D1 ('MetaData "Reaction" "Models.Chemical" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "Reaction" 'PrefixI 'True) (S1 ('MetaSel ('Just "reactionId") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 ReactionID) :*: S1 ('MetaSel ('Just "reactionName") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String)))

data Interactant #

Primary type for Reaction explanation

Constructors

IAccelerate ACCELERATE
ICatalyst Catalyst
IMolecule Molecule
IProductFrom PRODUCT_FROM
IReagentIn REAGENT_IN
IReaction Reaction

Instances

Instances details

FromJSON Interactant #
Instance details Defined in Models.Interactant Methods parseJSON :: Value -> Parser Interactant # parseJSONList :: Value -> Parser [Interactant] # omittedField :: Maybe Interactant #
ToJSON Interactant #
Instance details Defined in Models.Interactant Methods toJSON :: Interactant -> Value # toEncoding :: Interactant -> Encoding # toJSONList :: [Interactant] -> Value # toEncodingList :: [Interactant] -> Encoding # omitField :: Interactant -> Bool #
Generic Interactant #
Instance details Defined in Models.Interactant Associated Types type Rep Interactant :: Type -> Type # Methods from :: Interactant -> Rep Interactant x # to :: Rep Interactant x -> Interactant #
Show Interactant #
Instance details Defined in Models.Interactant Methods showsPrec :: Int -> Interactant -> ShowS # show :: Interactant -> String # showList :: [Interactant] -> ShowS #
Eq Interactant #
Instance details Defined in Models.Interactant Methods (==) :: Interactant -> Interactant -> Bool # (/=) :: Interactant -> Interactant -> Bool #
ElemInteractant (Interactant, Identity) #	Converts a Neo4j node to a Haskell `Interactant` based on its label (if `Node`) or type (if `URelationship`).
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (Interactant, Identity) #
type Rep Interactant #
Instance details Defined in Models.Interactant type Rep Interactant = D1 ('MetaData "Interactant" "Models.Interactant" "chemist-preprocessor-0.1.0.0-inplace" 'False) ((C1 ('MetaCons "IAccelerate" 'PrefixI 'False) (S1 ('MetaSel ('Nothing :: Maybe Symbol) 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 ACCELERATE)) :+: (C1 ('MetaCons "ICatalyst" 'PrefixI 'False) (S1 ('MetaSel ('Nothing :: Maybe Symbol) 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Catalyst)) :+: C1 ('MetaCons "IMolecule" 'PrefixI 'False) (S1 ('MetaSel ('Nothing :: Maybe Symbol) 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Molecule)))) :+: (C1 ('MetaCons "IProductFrom" 'PrefixI 'False) (S1 ('MetaSel ('Nothing :: Maybe Symbol) 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 PRODUCT_FROM)) :+: (C1 ('MetaCons "IReagentIn" 'PrefixI 'False) (S1 ('MetaSel ('Nothing :: Maybe Symbol) 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 REAGENT_IN)) :+: C1 ('MetaCons "IReaction" 'PrefixI 'False) (S1 ('MetaSel ('Nothing :: Maybe Symbol) 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Reaction)))))

data Explain #

Primary type for Mechanism explanation

Constructors

EMechanism Mechanism
EStage Stage

Instances

Instances details

Generic Explain #
Instance details Defined in Models.Interactant Associated Types type Rep Explain :: Type -> Type # Methods from :: Explain -> Rep Explain x # to :: Rep Explain x -> Explain #
Show Explain #
Instance details Defined in Models.Interactant Methods showsPrec :: Int -> Explain -> ShowS # show :: Explain -> String # showList :: [Explain] -> ShowS #
Eq Explain #
Instance details Defined in Models.Interactant Methods (==) :: Explain -> Explain -> Bool # (/=) :: Explain -> Explain -> Bool #
type Rep Explain #
Instance details Defined in Models.Interactant type Rep Explain = D1 ('MetaData "Explain" "Models.Interactant" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "EMechanism" 'PrefixI 'False) (S1 ('MetaSel ('Nothing :: Maybe Symbol) 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Mechanism)) :+: C1 ('MetaCons "EStage" 'PrefixI 'False) (S1 ('MetaSel ('Nothing :: Maybe Symbol) 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Stage)))

newtype NodeMask #

Constructors

NodeMask
Fields nodePropsMask :: Map Text Value

Instances

Instances details

Show NodeMask #
Instance details Defined in Models.Mask Methods showsPrec :: Int -> NodeMask -> ShowS # show :: NodeMask -> String # showList :: [NodeMask] -> ShowS #
InteractantElem NodeMask #	Converts a node interactant to a `NodeMask`.
Instance details Defined in Domain.Converter.Instances Methods exactElem :: Interactant -> Either ParsingError NodeMask #
Eq NodeMask #
Instance details Defined in Models.Mask Methods (==) :: NodeMask -> NodeMask -> Bool # (/=) :: NodeMask -> NodeMask -> Bool #

data PathMask #

Constructors

PathMask
Fields pathNodesMask :: [Interactant] pathRelationshipsMask :: [Interactant] pathSequenceMask :: [Int]

Instances

Instances details

FromJSON PathMask #
Instance details Defined in Models.Mask Methods parseJSON :: Value -> Parser PathMask # parseJSONList :: Value -> Parser [PathMask] # omittedField :: Maybe PathMask #
ToJSON PathMask #
Instance details Defined in Models.Mask Methods toJSON :: PathMask -> Value # toEncoding :: PathMask -> Encoding # toJSONList :: [PathMask] -> Value # toEncodingList :: [PathMask] -> Encoding # omitField :: PathMask -> Bool #
Generic PathMask #
Instance details Defined in Models.Mask Associated Types type Rep PathMask :: Type -> Type # Methods from :: PathMask -> Rep PathMask x # to :: Rep PathMask x -> PathMask #
Show PathMask #
Instance details Defined in Models.Mask Methods showsPrec :: Int -> PathMask -> ShowS # show :: PathMask -> String # showList :: [PathMask] -> ShowS #
ElemInteractant PathMask #	Converts a Neo4j path to a Haskell `PathMask` (Introduce `PathMask` instance to avoid introducing a new typeclass for a pseudo-collection of `Interactant`'s).
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError PathMask #
Eq PathMask #
Instance details Defined in Models.Mask Methods (==) :: PathMask -> PathMask -> Bool # (/=) :: PathMask -> PathMask -> Bool #
type Rep PathMask #
Instance details Defined in Models.Mask type Rep PathMask = D1 ('MetaData "PathMask" "Models.Mask" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "PathMask" 'PrefixI 'True) (S1 ('MetaSel ('Just "pathNodesMask") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [Interactant]) :: (S1 ('MetaSel ('Just "pathRelationshipsMask") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [Interactant]) :: S1 ('MetaSel ('Just "pathSequenceMask") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [Int]))))

data RawMechanismDetailsMask #

Constructors

RawMechanismDetailsMask
Fields rawMechanismMask :: NodeMask rawContextMask :: RelMask rawStagesMask :: [NodeMask] rawIncludeMask :: [RelMask] rawParticipantsMask :: [NodeMask]

Instances

Instances details

Show RawMechanismDetailsMask #
Instance details Defined in Models.Mask Methods showsPrec :: Int -> RawMechanismDetailsMask -> ShowS # show :: RawMechanismDetailsMask -> String # showList :: [RawMechanismDetailsMask] -> ShowS #
Eq RawMechanismDetailsMask #
Instance details Defined in Models.Mask Methods (==) :: RawMechanismDetailsMask -> RawMechanismDetailsMask -> Bool # (/=) :: RawMechanismDetailsMask -> RawMechanismDetailsMask -> Bool #

data RawReactionDetailsMask #

Constructors

RawReactionDetailsMask
Fields rawReactionMask :: NodeMask rawReagentsMask :: [NodeMask] rawProductsMask :: [NodeMask] rawInboundMask :: [RelMask] rawOutboundMask :: [RelMask] rawAccelerateMask :: [RelMask] rawCatalystsMask :: [NodeMask]

Instances

Instances details

Show RawReactionDetailsMask #
Instance details Defined in Models.Mask Methods showsPrec :: Int -> RawReactionDetailsMask -> ShowS # show :: RawReactionDetailsMask -> String # showList :: [RawReactionDetailsMask] -> ShowS #
Eq RawReactionDetailsMask #
Instance details Defined in Models.Mask Methods (==) :: RawReactionDetailsMask -> RawReactionDetailsMask -> Bool # (/=) :: RawReactionDetailsMask -> RawReactionDetailsMask -> Bool #

newtype RelMask #

Constructors

RelMask
Fields relPropsMask :: Map Text Value

Instances

Instances details

Show RelMask #
Instance details Defined in Models.Mask Methods showsPrec :: Int -> RelMask -> ShowS # show :: RelMask -> String # showList :: [RelMask] -> ShowS #
InteractantElem RelMask #	Converts a relation of `Interactants` to a `RelMask`.
Instance details Defined in Domain.Converter.Instances Methods exactElem :: Interactant -> Either ParsingError RelMask #
Eq RelMask #
Instance details Defined in Models.Mask Methods (==) :: RelMask -> RelMask -> Bool # (/=) :: RelMask -> RelMask -> Bool #

data ReactionDetails #

Constructors

ReactionDetails
Fields reaction :: Reaction inboundReagents :: [(REAGENT_IN, Molecule)] outboundProducts :: [(PRODUCT_FROM, Molecule)] conditions :: [(ACCELERATE, Catalyst)]

Instances

Instances details

FromJSON ReactionDetails #
Instance details Defined in Models.Process Methods parseJSON :: Value -> Parser ReactionDetails # parseJSONList :: Value -> Parser [ReactionDetails] # omittedField :: Maybe ReactionDetails #
ToJSON ReactionDetails #
Instance details Defined in Models.Process Methods toJSON :: ReactionDetails -> Value # toEncoding :: ReactionDetails -> Encoding # toJSONList :: [ReactionDetails] -> Value # toEncodingList :: [ReactionDetails] -> Encoding # omitField :: ReactionDetails -> Bool #
Generic ReactionDetails #
Instance details Defined in Models.Process Associated Types type Rep ReactionDetails :: Type -> Type # Methods from :: ReactionDetails -> Rep ReactionDetails x # to :: Rep ReactionDetails x -> ReactionDetails #
Show ReactionDetails #
Instance details Defined in Models.Process Methods showsPrec :: Int -> ReactionDetails -> ShowS # show :: ReactionDetails -> String # showList :: [ReactionDetails] -> ShowS #
Eq ReactionDetails #
Instance details Defined in Models.Process Methods (==) :: ReactionDetails -> ReactionDetails -> Bool # (/=) :: ReactionDetails -> ReactionDetails -> Bool #
type Rep ReactionDetails #
Instance details Defined in Models.Process type Rep ReactionDetails = D1 ('MetaData "ReactionDetails" "Models.Process" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "ReactionDetails" 'PrefixI 'True) ((S1 ('MetaSel ('Just "reaction") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Reaction) :: S1 ('MetaSel ('Just "inboundReagents") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [(REAGENT_IN, Molecule)])) :: (S1 ('MetaSel ('Just "outboundProducts") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [(PRODUCT_FROM, Molecule)]) :*: S1 ('MetaSel ('Just "conditions") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [(ACCELERATE, Catalyst)]))))

data MechanismDetails #

Constructors

MechanismDetails
Fields mechanismContext :: (Mechanism, FOLLOW) stageInteractants :: [(Stage, [Interactant])]

Instances

Instances details

FromJSON MechanismDetails #
Instance details Defined in Models.Process Methods parseJSON :: Value -> Parser MechanismDetails # parseJSONList :: Value -> Parser [MechanismDetails] # omittedField :: Maybe MechanismDetails #
ToJSON MechanismDetails #
Instance details Defined in Models.Process Methods toJSON :: MechanismDetails -> Value # toEncoding :: MechanismDetails -> Encoding # toJSONList :: [MechanismDetails] -> Value # toEncodingList :: [MechanismDetails] -> Encoding # omitField :: MechanismDetails -> Bool #
Generic MechanismDetails #
Instance details Defined in Models.Process Associated Types type Rep MechanismDetails :: Type -> Type # Methods from :: MechanismDetails -> Rep MechanismDetails x # to :: Rep MechanismDetails x -> MechanismDetails #
Show MechanismDetails #
Instance details Defined in Models.Process Methods showsPrec :: Int -> MechanismDetails -> ShowS # show :: MechanismDetails -> String # showList :: [MechanismDetails] -> ShowS #
Eq MechanismDetails #
Instance details Defined in Models.Process Methods (==) :: MechanismDetails -> MechanismDetails -> Bool # (/=) :: MechanismDetails -> MechanismDetails -> Bool #
type Rep MechanismDetails #
Instance details Defined in Models.Process type Rep MechanismDetails = D1 ('MetaData "MechanismDetails" "Models.Process" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "MechanismDetails" 'PrefixI 'True) (S1 ('MetaSel ('Just "mechanismContext") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Mechanism, FOLLOW)) :*: S1 ('MetaSel ('Just "stageInteractants") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [(Stage, [Interactant])])))

data ProcessDetails #

Constructors

ProcessDetails
Fields reactionDetails :: ReactionDetails mechanismDetails :: MechanismDetails

Instances

Instances details

FromJSON ProcessDetails #
Instance details Defined in Models.Process Methods parseJSON :: Value -> Parser ProcessDetails # parseJSONList :: Value -> Parser [ProcessDetails] # omittedField :: Maybe ProcessDetails #
ToJSON ProcessDetails #
Instance details Defined in Models.Process Methods toJSON :: ProcessDetails -> Value # toEncoding :: ProcessDetails -> Encoding # toJSONList :: [ProcessDetails] -> Value # toEncodingList :: [ProcessDetails] -> Encoding # omitField :: ProcessDetails -> Bool #
Generic ProcessDetails #
Instance details Defined in Models.Process Associated Types type Rep ProcessDetails :: Type -> Type # Methods from :: ProcessDetails -> Rep ProcessDetails x # to :: Rep ProcessDetails x -> ProcessDetails #
Show ProcessDetails #
Instance details Defined in Models.Process Methods showsPrec :: Int -> ProcessDetails -> ShowS # show :: ProcessDetails -> String # showList :: [ProcessDetails] -> ShowS #
Eq ProcessDetails #
Instance details Defined in Models.Process Methods (==) :: ProcessDetails -> ProcessDetails -> Bool # (/=) :: ProcessDetails -> ProcessDetails -> Bool #
type Rep ProcessDetails #
Instance details Defined in Models.Process type Rep ProcessDetails = D1 ('MetaData "ProcessDetails" "Models.Process" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "ProcessDetails" 'PrefixI 'True) (S1 ('MetaSel ('Just "reactionDetails") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 ReactionDetails) :*: S1 ('MetaSel ('Just "mechanismDetails") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 MechanismDetails)))

type ReactionNode = Node #

Represents a node in a reaction graph

type MechanismNode = Node #

Represents a node in a mechanism graph

data RawReactionDetails #

Constructors

RawReactionDetails
Fields rawReaction :: Node rawReagents :: [Node] rawProducts :: [Node] rawInbound :: [Relationship] rawOutbound :: [Relationship] rawAccelerate :: [Relationship] rawCatalysts :: [Node]

Instances

Instances details

Show RawReactionDetails #
Instance details Defined in Models.Graph Methods showsPrec :: Int -> RawReactionDetails -> ShowS # show :: RawReactionDetails -> String # showList :: [RawReactionDetails] -> ShowS #
Eq RawReactionDetails #
Instance details Defined in Models.Graph Methods (==) :: RawReactionDetails -> RawReactionDetails -> Bool # (/=) :: RawReactionDetails -> RawReactionDetails -> Bool #

data RawMechanismDetails #

Constructors

RawMechanismDetails
Fields rawMechanism :: Node rawInteractants :: [Node] rawInclude :: [Relationship] rawStages :: [Node] rawFollow :: Relationship

Instances

Instances details

Show RawMechanismDetails #
Instance details Defined in Models.Graph Methods showsPrec :: Int -> RawMechanismDetails -> ShowS # show :: RawMechanismDetails -> String # showList :: [RawMechanismDetails] -> ShowS #
Eq RawMechanismDetails #
Instance details Defined in Models.Graph Methods (==) :: RawMechanismDetails -> RawMechanismDetails -> Bool # (/=) :: RawMechanismDetails -> RawMechanismDetails -> Bool #

type MechanismID = Int #

type StageID = Int #

data Mechanism #

Constructors

Mechanism
Fields mechanismId :: MechanismID mechanismName :: String mechanismType :: String mechanismActivationEnergy :: Float

Instances

Instances details

FromJSON Mechanism #
Instance details Defined in Models.Mechanism Methods parseJSON :: Value -> Parser Mechanism # parseJSONList :: Value -> Parser [Mechanism] # omittedField :: Maybe Mechanism #
ToJSON Mechanism #
Instance details Defined in Models.Mechanism Methods toJSON :: Mechanism -> Value # toEncoding :: Mechanism -> Encoding # toJSONList :: [Mechanism] -> Value # toEncodingList :: [Mechanism] -> Encoding # omitField :: Mechanism -> Bool #
Generic Mechanism #
Instance details Defined in Models.Mechanism Associated Types type Rep Mechanism :: Type -> Type # Methods from :: Mechanism -> Rep Mechanism x # to :: Rep Mechanism x -> Mechanism #
Show Mechanism #
Instance details Defined in Models.Mechanism Methods showsPrec :: Int -> Mechanism -> ShowS # show :: Mechanism -> String # showList :: [Mechanism] -> ShowS #
Eq Mechanism #
Instance details Defined in Models.Mechanism Methods (==) :: Mechanism -> Mechanism -> Bool # (/=) :: Mechanism -> Mechanism -> Bool #
ElemInteractant (Mechanism, Identity) #	Converts a Neo4j node with label Mechanism to a Haskell `Mechanism` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (Mechanism, Identity) #
type Rep Mechanism #
Instance details Defined in Models.Mechanism type Rep Mechanism = D1 ('MetaData "Mechanism" "Models.Mechanism" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "Mechanism" 'PrefixI 'True) ((S1 ('MetaSel ('Just "mechanismId") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 MechanismID) :: S1 ('MetaSel ('Just "mechanismName") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String)) :: (S1 ('MetaSel ('Just "mechanismType") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String) :*: S1 ('MetaSel ('Just "mechanismActivationEnergy") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 Float))))

newtype FOLLOW #

Constructors

FOLLOW
Fields description :: String

Instances

Instances details

FromJSON FOLLOW #
Instance details Defined in Models.Mechanism Methods parseJSON :: Value -> Parser FOLLOW # parseJSONList :: Value -> Parser [FOLLOW] # omittedField :: Maybe FOLLOW #
ToJSON FOLLOW #
Instance details Defined in Models.Mechanism Methods toJSON :: FOLLOW -> Value # toEncoding :: FOLLOW -> Encoding # toJSONList :: [FOLLOW] -> Value # toEncodingList :: [FOLLOW] -> Encoding # omitField :: FOLLOW -> Bool #
Generic FOLLOW #
Instance details Defined in Models.Mechanism Associated Types type Rep FOLLOW :: Type -> Type # Methods from :: FOLLOW -> Rep FOLLOW x # to :: Rep FOLLOW x -> FOLLOW #
Show FOLLOW #
Instance details Defined in Models.Mechanism Methods showsPrec :: Int -> FOLLOW -> ShowS # show :: FOLLOW -> String # showList :: [FOLLOW] -> ShowS #
Eq FOLLOW #
Instance details Defined in Models.Mechanism Methods (==) :: FOLLOW -> FOLLOW -> Bool # (/=) :: FOLLOW -> FOLLOW -> Bool #
ElemInteractant (FOLLOW, Identity) #	Converts a Neo4j relationship of type FOLLOW to a Haskell `FOLLOW` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (FOLLOW, Identity) #
type Rep FOLLOW #
Instance details Defined in Models.Mechanism type Rep FOLLOW = D1 ('MetaData "FOLLOW" "Models.Mechanism" "chemist-preprocessor-0.1.0.0-inplace" 'True) (C1 ('MetaCons "FOLLOW" 'PrefixI 'True) (S1 ('MetaSel ('Just "description") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String)))

data Stage #

Constructors

Stage
Fields stageOrder :: StageID stageName :: String stageDescription :: String stageProducts :: [String]

Instances

Instances details

FromJSON Stage #
Instance details Defined in Models.Mechanism Methods parseJSON :: Value -> Parser Stage # parseJSONList :: Value -> Parser [Stage] # omittedField :: Maybe Stage #
ToJSON Stage #
Instance details Defined in Models.Mechanism Methods toJSON :: Stage -> Value # toEncoding :: Stage -> Encoding # toJSONList :: [Stage] -> Value # toEncodingList :: [Stage] -> Encoding # omitField :: Stage -> Bool #
Generic Stage #
Instance details Defined in Models.Mechanism Associated Types type Rep Stage :: Type -> Type # Methods from :: Stage -> Rep Stage x # to :: Rep Stage x -> Stage #
Show Stage #
Instance details Defined in Models.Mechanism Methods showsPrec :: Int -> Stage -> ShowS # show :: Stage -> String # showList :: [Stage] -> ShowS #
Eq Stage #
Instance details Defined in Models.Mechanism Methods (==) :: Stage -> Stage -> Bool # (/=) :: Stage -> Stage -> Bool #
ElemInteractant (Stage, Identity) #	Converts a Neo4j node with label Stage to a Haskell `Stage` and its `Identity`.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (Stage, Identity) #
type Rep Stage #
Instance details Defined in Models.Mechanism type Rep Stage = D1 ('MetaData "Stage" "Models.Mechanism" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "Stage" 'PrefixI 'True) ((S1 ('MetaSel ('Just "stageOrder") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 StageID) :: S1 ('MetaSel ('Just "stageName") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String)) :: (S1 ('MetaSel ('Just "stageDescription") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String) :*: S1 ('MetaSel ('Just "stageProducts") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 [String]))))

data INCLUDE #

Constructors

INCLUDE

Instances

Instances details

FromJSON INCLUDE #
Instance details Defined in Models.Mechanism Methods parseJSON :: Value -> Parser INCLUDE # parseJSONList :: Value -> Parser [INCLUDE] # omittedField :: Maybe INCLUDE #
ToJSON INCLUDE #
Instance details Defined in Models.Mechanism Methods toJSON :: INCLUDE -> Value # toEncoding :: INCLUDE -> Encoding # toJSONList :: [INCLUDE] -> Value # toEncodingList :: [INCLUDE] -> Encoding # omitField :: INCLUDE -> Bool #
Generic INCLUDE #
Instance details Defined in Models.Mechanism Associated Types type Rep INCLUDE :: Type -> Type # Methods from :: INCLUDE -> Rep INCLUDE x # to :: Rep INCLUDE x -> INCLUDE #
Show INCLUDE #
Instance details Defined in Models.Mechanism Methods showsPrec :: Int -> INCLUDE -> ShowS # show :: INCLUDE -> String # showList :: [INCLUDE] -> ShowS #
Eq INCLUDE #
Instance details Defined in Models.Mechanism Methods (==) :: INCLUDE -> INCLUDE -> Bool # (/=) :: INCLUDE -> INCLUDE -> Bool #
ElemInteractant (INCLUDE, Identity, Identity) #	Converts a Neo4j relationship of type INCLUDE to a Haskell `INCLUDE` and its two `Identity` values.
Instance details Defined in Domain.Converter.Instances Methods exactInteractant :: Elem -> Either ParsingError (INCLUDE, Identity, Identity) #
type Rep INCLUDE #
Instance details Defined in Models.Mechanism type Rep INCLUDE = D1 ('MetaData "INCLUDE" "Models.Mechanism" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "INCLUDE" 'PrefixI 'False) (U1 :: Type -> Type))

data HealthCheck #

Constructors

HealthCheck
Fields status :: String message :: String

Instances

Instances details

FromJSON HealthCheck #
Instance details Defined in Models.Common Methods parseJSON :: Value -> Parser HealthCheck # parseJSONList :: Value -> Parser [HealthCheck] # omittedField :: Maybe HealthCheck #
ToJSON HealthCheck #
Instance details Defined in Models.Common Methods toJSON :: HealthCheck -> Value # toEncoding :: HealthCheck -> Encoding # toJSONList :: [HealthCheck] -> Value # toEncodingList :: [HealthCheck] -> Encoding # omitField :: HealthCheck -> Bool #
Generic HealthCheck #
Instance details Defined in Models.Common Associated Types type Rep HealthCheck :: Type -> Type # Methods from :: HealthCheck -> Rep HealthCheck x # to :: Rep HealthCheck x -> HealthCheck #
Show HealthCheck #
Instance details Defined in Models.Common Methods showsPrec :: Int -> HealthCheck -> ShowS # show :: HealthCheck -> String # showList :: [HealthCheck] -> ShowS #
type Rep HealthCheck #
Instance details Defined in Models.Common type Rep HealthCheck = D1 ('MetaData "HealthCheck" "Models.Common" "chemist-preprocessor-0.1.0.0-inplace" 'False) (C1 ('MetaCons "HealthCheck" 'PrefixI 'True) (S1 ('MetaSel ('Just "status") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String) :*: S1 ('MetaSel ('Just "message") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 String)))