Add src/MD/think.jl

src/MD/think.jl

@@ -0,0 +1,20 @@
+using Thinkers: Thunk
+using EasyConfig: Config as Conf
+using Unitful: dimension, @u_str
+
+using .Config: StaticConfig, expand
+
+import ExpressBase: think
+
+think(action::CreateInput, conf::Conf) =
+    collect(Thunk(action(conf.template)) for _ in Base.OneTo(length(conf.at)))
+think(action::CreateInput{<:MolecularDynamics}, conf::Conf) =
+    collect(Thunk(action, template) for template in first.(conf.io))
+# think(action::ExtractData, conf::Conf) =
+#     collect(Thunk(action, file) for file in last.(conf.io))
+# think(action::GatherData, ::Conf) = Thunk(action)
+# think(action::SaveData, conf::Conf) = Thunk(action(conf.data.raw))
+function think(action::Action{T}, config::StaticConfig) where {T}
+    config = expand(config, T())
+    return think(action, config::Conf)
+end