module Bio.MMTF.Type where
import Control.DeepSeq (NFData (..))
import Data.Int (Int32, Int8)
import Data.Text (Text)
import Data.Vector (Vector)
import GHC.Generics (Generic)
import Bio.Structure (SecondaryStructure)
data M44 = M44 Float Float Float Float
Float Float Float Float
Float Float Float Float
Float Float Float Float
deriving (Int -> M44 -> ShowS
[M44] -> ShowS
M44 -> String
(Int -> M44 -> ShowS)
-> (M44 -> String) -> ([M44] -> ShowS) -> Show M44
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
showList :: [M44] -> ShowS
$cshowList :: [M44] -> ShowS
show :: M44 -> String
$cshow :: M44 -> String
showsPrec :: Int -> M44 -> ShowS
$cshowsPrec :: Int -> M44 -> ShowS
Show, M44 -> M44 -> Bool
(M44 -> M44 -> Bool) -> (M44 -> M44 -> Bool) -> Eq M44
forall a. (a -> a -> Bool) -> (a -> a -> Bool) -> Eq a
/= :: M44 -> M44 -> Bool
$c/= :: M44 -> M44 -> Bool
== :: M44 -> M44 -> Bool
$c== :: M44 -> M44 -> Bool
Eq, (forall x. M44 -> Rep M44 x)
-> (forall x. Rep M44 x -> M44) -> Generic M44
forall x. Rep M44 x -> M44
forall x. M44 -> Rep M44 x
forall a.
(forall x. a -> Rep a x) -> (forall x. Rep a x -> a) -> Generic a
$cto :: forall x. Rep M44 x -> M44
$cfrom :: forall x. M44 -> Rep M44 x
Generic, M44 -> ()
(M44 -> ()) -> NFData M44
forall a. (a -> ()) -> NFData a
rnf :: M44 -> ()
$crnf :: M44 -> ()
NFData)
data UnitCell = UnitCell { UnitCell -> Float
ucA :: !Float
, UnitCell -> Float
ucB :: !Float
, UnitCell -> Float
ucC :: !Float
, UnitCell -> Float
ucAlpha :: !Float
, UnitCell -> Float
ucBeta :: !Float
, UnitCell -> Float
ucGamma :: !Float
}
deriving (Int -> UnitCell -> ShowS
[UnitCell] -> ShowS
UnitCell -> String
(Int -> UnitCell -> ShowS)
-> (UnitCell -> String) -> ([UnitCell] -> ShowS) -> Show UnitCell
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
showList :: [UnitCell] -> ShowS
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show :: UnitCell -> String
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showsPrec :: Int -> UnitCell -> ShowS
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Show, UnitCell -> UnitCell -> Bool
(UnitCell -> UnitCell -> Bool)
-> (UnitCell -> UnitCell -> Bool) -> Eq UnitCell
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/= :: UnitCell -> UnitCell -> Bool
$c/= :: UnitCell -> UnitCell -> Bool
== :: UnitCell -> UnitCell -> Bool
$c== :: UnitCell -> UnitCell -> Bool
Eq, (forall x. UnitCell -> Rep UnitCell x)
-> (forall x. Rep UnitCell x -> UnitCell) -> Generic UnitCell
forall x. Rep UnitCell x -> UnitCell
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forall a.
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$cto :: forall x. Rep UnitCell x -> UnitCell
$cfrom :: forall x. UnitCell -> Rep UnitCell x
Generic, UnitCell -> ()
(UnitCell -> ()) -> NFData UnitCell
forall a. (a -> ()) -> NFData a
rnf :: UnitCell -> ()
$crnf :: UnitCell -> ()
NFData)
data Transform = Transform { Transform -> Vector Int32
chainIndexList :: !(Vector Int32)
, Transform -> M44
matrix :: !M44
}
deriving (Int -> Transform -> ShowS
[Transform] -> ShowS
Transform -> String
(Int -> Transform -> ShowS)
-> (Transform -> String)
-> ([Transform] -> ShowS)
-> Show Transform
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
showList :: [Transform] -> ShowS
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show :: Transform -> String
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showsPrec :: Int -> Transform -> ShowS
$cshowsPrec :: Int -> Transform -> ShowS
Show, Transform -> Transform -> Bool
(Transform -> Transform -> Bool)
-> (Transform -> Transform -> Bool) -> Eq Transform
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/= :: Transform -> Transform -> Bool
$c/= :: Transform -> Transform -> Bool
== :: Transform -> Transform -> Bool
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Eq, (forall x. Transform -> Rep Transform x)
-> (forall x. Rep Transform x -> Transform) -> Generic Transform
forall x. Rep Transform x -> Transform
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forall a.
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$cto :: forall x. Rep Transform x -> Transform
$cfrom :: forall x. Transform -> Rep Transform x
Generic, Transform -> ()
(Transform -> ()) -> NFData Transform
forall a. (a -> ()) -> NFData a
rnf :: Transform -> ()
$crnf :: Transform -> ()
NFData)
data Assembly = Assembly { Assembly -> Vector Transform
transformList :: !(Vector Transform)
, Assembly -> Text
assemblyName :: !Text
}
deriving (Int -> Assembly -> ShowS
[Assembly] -> ShowS
Assembly -> String
(Int -> Assembly -> ShowS)
-> (Assembly -> String) -> ([Assembly] -> ShowS) -> Show Assembly
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
showList :: [Assembly] -> ShowS
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showsPrec :: Int -> Assembly -> ShowS
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Show, Assembly -> Assembly -> Bool
(Assembly -> Assembly -> Bool)
-> (Assembly -> Assembly -> Bool) -> Eq Assembly
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/= :: Assembly -> Assembly -> Bool
$c/= :: Assembly -> Assembly -> Bool
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Eq, (forall x. Assembly -> Rep Assembly x)
-> (forall x. Rep Assembly x -> Assembly) -> Generic Assembly
forall x. Rep Assembly x -> Assembly
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$cto :: forall x. Rep Assembly x -> Assembly
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Generic, Assembly -> ()
(Assembly -> ()) -> NFData Assembly
forall a. (a -> ()) -> NFData a
rnf :: Assembly -> ()
$crnf :: Assembly -> ()
NFData)
data Entity = Entity { Entity -> Vector Int32
entityChainIndexList :: !(Vector Int32)
, Entity -> Text
entityDescription :: !Text
, Entity -> Text
entityType :: !Text
, Entity -> Text
entitySequence :: !Text
}
deriving (Int -> Entity -> ShowS
[Entity] -> ShowS
Entity -> String
(Int -> Entity -> ShowS)
-> (Entity -> String) -> ([Entity] -> ShowS) -> Show Entity
forall a.
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showsPrec :: Int -> Entity -> ShowS
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Show, Entity -> Entity -> Bool
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-> (Entity -> Entity -> Bool) -> Eq Entity
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Generic, Entity -> ()
(Entity -> ()) -> NFData Entity
forall a. (a -> ()) -> NFData a
rnf :: Entity -> ()
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NFData)
data GroupType = GroupType { GroupType -> Vector Int32
gtFormalChargeList :: !(Vector Int32)
, GroupType -> Vector Text
gtAtomNameList :: !(Vector Text)
, GroupType -> Vector Text
gtElementList :: !(Vector Text)
, GroupType -> Vector (Int32, Int32)
gtBondAtomList :: !(Vector (Int32, Int32))
, GroupType -> Vector Int32
gtBondOrderList :: !(Vector Int32)
, GroupType -> Text
gtGroupName :: !Text
, GroupType -> Char
gtSingleLetterCode :: !Char
, GroupType -> Text
gtChemCompType :: !Text
}
deriving (Int -> GroupType -> ShowS
[GroupType] -> ShowS
GroupType -> String
(Int -> GroupType -> ShowS)
-> (GroupType -> String)
-> ([GroupType] -> ShowS)
-> Show GroupType
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
showList :: [GroupType] -> ShowS
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showsPrec :: Int -> GroupType -> ShowS
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-> (GroupType -> GroupType -> Bool) -> Eq GroupType
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-> (forall x. Rep GroupType x -> GroupType) -> Generic GroupType
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Generic, GroupType -> ()
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forall a. (a -> ()) -> NFData a
rnf :: GroupType -> ()
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NFData)
data FormatData = FormatData { FormatData -> Text
mmtfVersion :: !Text
, FormatData -> Text
mmtfProducer :: !Text
}
deriving (Int -> FormatData -> ShowS
[FormatData] -> ShowS
FormatData -> String
(Int -> FormatData -> ShowS)
-> (FormatData -> String)
-> ([FormatData] -> ShowS)
-> Show FormatData
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
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rnf :: FormatData -> ()
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NFData)
data StructureData = StructureData { StructureData -> Text
title :: !Text
, StructureData -> Text
structureId :: !Text
, StructureData -> Text
depositionDate :: !Text
, StructureData -> Text
releaseDate :: !Text
, StructureData -> Int32
numBonds :: !Int32
, StructureData -> Int32
numAtoms :: !Int32
, StructureData -> Int32
numGroups :: !Int32
, StructureData -> Int32
numChains :: !Int32
, StructureData -> Int32
numModels :: !Int32
, StructureData -> Text
spaceGroup :: !Text
, StructureData -> Maybe UnitCell
unitCell :: !(Maybe UnitCell)
, StructureData -> Vector M44
ncsOperatorList :: !(Vector M44)
, StructureData -> Vector Assembly
bioAssemblyList :: !(Vector Assembly)
, StructureData -> Vector Entity
entityList :: !(Vector Entity)
, StructureData -> Maybe Float
resolution :: !(Maybe Float)
, StructureData -> Maybe Float
rFree :: !(Maybe Float)
, StructureData -> Maybe Float
rWork :: !(Maybe Float)
, StructureData -> Vector Text
experimentalMethods :: !(Vector Text)
, StructureData -> Vector (Int32, Int32)
bondAtomList :: !(Vector (Int32, Int32))
, StructureData -> Vector Int8
bondOrderList :: !(Vector Int8)
}
deriving (Int -> StructureData -> ShowS
[StructureData] -> ShowS
StructureData -> String
(Int -> StructureData -> ShowS)
-> (StructureData -> String)
-> ([StructureData] -> ShowS)
-> Show StructureData
forall a.
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-> (StructureData -> StructureData -> Bool) -> Eq StructureData
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rnf :: StructureData -> ()
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data ModelData = ModelData { ModelData -> Vector Int32
chainsPerModel :: !(Vector Int32)
}
deriving (Int -> ModelData -> ShowS
[ModelData] -> ShowS
ModelData -> String
(Int -> ModelData -> ShowS)
-> (ModelData -> String)
-> ([ModelData] -> ShowS)
-> Show ModelData
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
showList :: [ModelData] -> ShowS
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rnf :: ModelData -> ()
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data ChainData = ChainData { ChainData -> Vector Int32
groupsPerChain :: !(Vector Int32)
, ChainData -> Vector Text
chainIdList :: !(Vector Text)
, ChainData -> Vector Text
chainNameList :: !(Vector Text)
}
deriving (Int -> ChainData -> ShowS
[ChainData] -> ShowS
ChainData -> String
(Int -> ChainData -> ShowS)
-> (ChainData -> String)
-> ([ChainData] -> ShowS)
-> Show ChainData
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
showList :: [ChainData] -> ShowS
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showsPrec :: Int -> ChainData -> ShowS
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-> (ChainData -> ChainData -> Bool) -> Eq ChainData
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Eq, (forall x. ChainData -> Rep ChainData x)
-> (forall x. Rep ChainData x -> ChainData) -> Generic ChainData
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Generic, ChainData -> ()
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rnf :: ChainData -> ()
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data GroupData = GroupData { GroupData -> Vector GroupType
groupList :: !(Vector GroupType)
, GroupData -> Vector Int32
groupTypeList :: !(Vector Int32)
, GroupData -> Vector Int32
groupIdList :: !(Vector Int32)
, GroupData -> Vector SecondaryStructure
secStructList :: !(Vector SecondaryStructure)
, GroupData -> Vector Text
insCodeList :: !(Vector Text)
, GroupData -> Vector Int32
sequenceIndexList :: !(Vector Int32)
}
deriving (Int -> GroupData -> ShowS
[GroupData] -> ShowS
GroupData -> String
(Int -> GroupData -> ShowS)
-> (GroupData -> String)
-> ([GroupData] -> ShowS)
-> Show GroupData
forall a.
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data AtomData = AtomData { AtomData -> Vector Int32
atomIdList :: !(Vector Int32)
, AtomData -> Vector Text
altLocList :: !(Vector Text)
, AtomData -> Vector Float
bFactorList :: !(Vector Float)
, AtomData -> Vector Float
xCoordList :: !(Vector Float)
, AtomData -> Vector Float
yCoordList :: !(Vector Float)
, AtomData -> Vector Float
zCoordList :: !(Vector Float)
, AtomData -> Vector Float
occupancyList :: !(Vector Float)
}
deriving (Int -> AtomData -> ShowS
[AtomData] -> ShowS
AtomData -> String
(Int -> AtomData -> ShowS)
-> (AtomData -> String) -> ([AtomData] -> ShowS) -> Show AtomData
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showList :: [AtomData] -> ShowS
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showsPrec :: Int -> AtomData -> ShowS
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Show, AtomData -> AtomData -> Bool
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-> (AtomData -> AtomData -> Bool) -> Eq AtomData
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rnf :: AtomData -> ()
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NFData)
data MMTF = MMTF { MMTF -> FormatData
format :: !FormatData
, MMTF -> StructureData
structure :: !StructureData
, MMTF -> ModelData
model :: !ModelData
, MMTF -> ChainData
chain :: !ChainData
, MMTF -> GroupData
group :: !GroupData
, MMTF -> AtomData
atom :: !AtomData
}
deriving (Int -> MMTF -> ShowS
[MMTF] -> ShowS
MMTF -> String
(Int -> MMTF -> ShowS)
-> (MMTF -> String) -> ([MMTF] -> ShowS) -> Show MMTF
forall a.
(Int -> a -> ShowS) -> (a -> String) -> ([a] -> ShowS) -> Show a
showList :: [MMTF] -> ShowS
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showsPrec :: Int -> MMTF -> ShowS
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