MolDyn-v1_wkflw.dot

digraph MolDyn {
  label="MolDyn Flowchart"
  $global_style

  subgraph descision {
    $decision_style
    Version             [label="nMoldyn version"]
    IfSave              [label="Save?"]
    IsWorkspaceInEnergy [label="Is workspace in energy?"]
    IfSymmetrise        [label="SymmetriseEnergy?"]
    IfCrop              [label="Have MaxEnergy?"]
    IfConvolve          [label="Have Resolution workspace?"]
  }

  subgraph processes {
    $process_style
    ProcessEnergyWorkspaces [label="Process energy workspaces"]
  }

  subgraph params {
    $param_style
    Data
    Functions
    Resolution
    MaxEnergy
    OutputWorkspace
  }

  subgraph algorithms {
    $algorithm_style
    LoadNMoldyn3Ascii
    LoadNMoldyn4Ascii
    SaveNexus
    Symmetrise
    CropWorkspace
    ConvolveWorkspaces
  }

  ProcessEnergyWorkspaces_Start [label="Process energy workspaces"]
  ProcessEnergyWorkspaces_End   [label="End"]

  Data                    -> Version
  Functions               -> LoadNMoldyn3Ascii
  Version                 -> LoadNMoldyn3Ascii        [label="3"]
  Functions               -> LoadNMoldyn4Ascii
  Version                 -> LoadNMoldyn4Ascii        [label="4"]
  LoadNMoldyn3Ascii       -> ProcessEnergyWorkspaces
  LoadNMoldyn4Ascii       -> ProcessEnergyWorkspaces
  ProcessEnergyWorkspaces -> OutputWorkspace
  ProcessEnergyWorkspaces -> IfSave
  IfSave                  -> SaveNexus                [label="Yes"]

  ProcessEnergyWorkspaces_Start -> IsWorkspaceInEnergy
  IsWorkspaceInEnergy           -> IfSymmetrise                 [label="Yes"]
  MaxEnergy                     -> Symmetrise
  IfSymmetrise                  -> Symmetrise                   [label="Yes"]
  Symmetrise                    -> IfConvolve
  IfSymmetrise                  -> IfCrop                       [label="No"]
  MaxEnergy                     -> CropWorkspace
  IfCrop                        -> CropWorkspace                [label="Yes"]
  CropWorkspace                 -> IfConvolve
  IfCrop                        -> IfConvolve                   [label="No"]
  IfConvolve                    -> ConvolveWorkspaces           [label="Yes"]
  Resolution                    -> ConvolveWorkspaces
  ConvolveWorkspaces            -> ProcessEnergyWorkspaces_End
  IfConvolve                    -> ProcessEnergyWorkspaces_End  [label="No"]
  IsWorkspaceInEnergy           -> ProcessEnergyWorkspaces_End  [label="No"]
}