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Commit c9a02926 authored by Martyn Gigg's avatar Martyn Gigg
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Fix syntax in SimulatedDensityOfStates dot diagram

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digraph SimulatedDensityOfStates { digraph SimulatedDensityOfStates {
label="SimulatedDensityOfStates Flowchart" label="SimulatedDensityOfStates Flowchart"
$global_style $global_style
subgraph params { subgraph params {
$param_style $param_style
CASTEPFile CASTEPFile
...@@ -20,14 +20,14 @@ digraph SimulatedDensityOfStates { ...@@ -20,14 +20,14 @@ digraph SimulatedDensityOfStates {
file_data file_data
file_data1 [label="file_data"] file_data1 [label="file_data"]
file_data2 [label="file_data"] file_data2 [label="file_data"]
partial_workspaces label=["partial_workspaces"] partial_workspaces [label="partial_workspaces"]
partial_ions partial_ions
sum_workspace sum_workspace
DoS_Workspace DoS_Workspace
DoS_Workspace1 label=["DoS_Workspace"] DoS_Workspace1 [label="DoS_Workspace"]
DoS_Workspace2 label=["DoS_Workspace"] DoS_Workspace2 [label="DoS_Workspace"]
} }
subgraph process { subgraph process {
$process_style $process_style
read_data_from_file read_data_from_file
...@@ -41,20 +41,20 @@ digraph SimulatedDensityOfStates { ...@@ -41,20 +41,20 @@ digraph SimulatedDensityOfStates {
sum_workspace [label="sum_workspace"] sum_workspace [label="sum_workspace"]
sum_workspace1 [label="sum_workspace"] sum_workspace1 [label="sum_workspace"]
} }
CASTEPFile -> read_data_from_file CASTEPFile -> read_data_from_file
PHONONFile -> read_data_from_file PHONONFile -> read_data_from_file
read_data_from_file -> file_data read_data_from_file -> file_data
file_data -> SpectrumType file_data -> SpectrumType
// Ion Table // Ion Table
SpectrumType -> ion_table_process [label="IonTable"] SpectrumType -> ion_table_process [label="IonTable"]
ion_table_process -> OutputWorkspace [label="Output Table of Ions"] ion_table_process -> OutputWorkspace [label="Output Table of Ions"]
// Bond Table // Bond Table
SpectrumType -> bond_table_process [label="BondTable"] SpectrumType -> bond_table_process [label="BondTable"]
bond_table_process -> OutputWorkspace1 [label="Output Table of Bonds"] bond_table_process -> OutputWorkspace1 [label="Output Table of Bonds"]
// DOS + calc_partial // DOS + calc_partial
SpectrumType -> partial_ions [label="DOS and ions given in input"] SpectrumType -> partial_ions [label="DOS and ions given in input"]
partial_ions -> compute_partial_ion_workflow partial_ions -> compute_partial_ion_workflow
...@@ -65,7 +65,7 @@ digraph SimulatedDensityOfStates { ...@@ -65,7 +65,7 @@ digraph SimulatedDensityOfStates {
SumContributions -> GroupWorkspaces [label="No"] SumContributions -> GroupWorkspaces [label="No"]
partial_workspaces -> GroupWorkspaces partial_workspaces -> GroupWorkspaces
GroupWorkspaces -> OutputWorkspace2 GroupWorkspaces -> OutputWorkspace2
// DOS + scale_by_cross_section // DOS + scale_by_cross_section
SpectrumType -> Ions [label="DOS and scale_by_cross_section"] SpectrumType -> Ions [label="DOS and scale_by_cross_section"]
Ions -> all_ions [label="Convert user input to dictionary"] Ions -> all_ions [label="Convert user input to dictionary"]
...@@ -79,13 +79,14 @@ digraph SimulatedDensityOfStates { ...@@ -79,13 +79,14 @@ digraph SimulatedDensityOfStates {
SpectrumType -> compute_DOS [label="DOS"] SpectrumType -> compute_DOS [label="DOS"]
compute_DOS -> DoS_Workspace compute_DOS -> DoS_Workspace
DoS_Workspace -> OutputWorkspace4 DoS_Workspace -> OutputWorkspace4
// IR_Active // IR_Active
SpectrumType -> compute_DOS_IR [label="IR_Active"] SpectrumType -> compute_DOS_IR [label="IR_Active"]
compute_DOS_IR -> DoS_Workspace1 compute_DOS_IR -> DoS_Workspace1
DoS_Workspace1 -> OutputWorkspace5 DoS_Workspace1 -> OutputWorkspace5
//Raman_Active //Raman_Active
SpectrumType -> compute_DOS_Ramen [label="Raman_Active"] SpectrumType -> compute_DOS_Ramen [label="Raman_Active"]
compute_DOS_Ramen -> DoS_Workspace2 compute_DOS_Ramen -> DoS_Workspace2
DoS_Workspace2 -> OutputWorkspace6 DoS_Workspace2 -> OutputWorkspace6
}
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