Safe Haskell	Safe-Inferred
Language	Haskell2010

Models.Process

Description

This module defines the ReactionDetails, MechanismDetails, and ProcessDetails data types for representing the details of chemical reactions and their associated mechanisms.

The ReactionDetails type encapsulates information about a chemical reaction, including the reaction itself, inbound reagents (as pairs of REAGENT_IN and Molecule), outbound products (as pairs of PRODUCT_FROM and Molecule), and relevant conditions (as pairs of ACCELERATE and Catalyst).

The MechanismDetails type models the context of a mechanism (including its description via FOLLOW) and the interactants associated with each stage of the mechanism.

Finally, the ProcessDetails type aggregates both ReactionDetails and MechanismDetails, providing a comprehensive overview of a chemical process.

Documentation

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)))