Safe Haskell	Safe-Inferred
Language	Haskell2010

Models.Chemical

Description

This module defines data types for chemical entities, including Molecule, Reaction, Catalyst, and their respective properties. It facilitates JSON serialization and deserialization, providing a structure for representing reactions and their components.

Synopsis

type ReactionID = Int
type MoleculeID = Int
type CatalystID = Int
data Molecule = Molecule {
- moleculeId :: MoleculeID
- moleculeSmiles :: String
- moleculeIupacName :: String
}
data Reaction = Reaction {
- reactionId :: ReactionID
- reactionName :: String
}
data Catalyst = Catalyst {
- catalystId :: CatalystID
- catalystSmiles :: String
- catalystName :: Maybe String
}
newtype PRODUCT_FROM = PRODUCT_FROM {
- productAmount :: Float
}
data ACCELERATE = ACCELERATE {
- temperature :: [Float]
- pressure :: [Float]
}
newtype REAGENT_IN = REAGENT_IN {
- reagentAmount :: Float
}

Documentation

type ReactionID = Int #

type MoleculeID = Int #

type CatalystID = Int #

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))))

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 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)))))

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)))

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])))

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)))