From 05c49d8dcf28b0c1d202592f6a53e361792cb13a Mon Sep 17 00:00:00 2001 From: Emily Boudreaux Date: Tue, 18 Nov 2025 08:24:19 -0500 Subject: [PATCH] refactor(src): small refactoring changes to clean up code prior to PR --- src/include/gridfire/engine/types/graph.h | 0 src/lib/engine/types/graph.cpp | 0 tests/graphnet_sandbox/WeakReactionsGraph.svg | 17411 ---------------- tests/graphnet_sandbox/main.cpp | 221 +- tests/graphnet_sandbox/post.dat | 0 tests/graphnet_sandbox/prior.dat | 0 6 files changed, 162 insertions(+), 17470 deletions(-) delete mode 100644 src/include/gridfire/engine/types/graph.h delete mode 100644 src/lib/engine/types/graph.cpp delete mode 100644 tests/graphnet_sandbox/WeakReactionsGraph.svg delete mode 100644 tests/graphnet_sandbox/post.dat delete mode 100644 tests/graphnet_sandbox/prior.dat diff --git a/src/include/gridfire/engine/types/graph.h b/src/include/gridfire/engine/types/graph.h deleted file mode 100644 index e69de29b..00000000 diff --git a/src/lib/engine/types/graph.cpp b/src/lib/engine/types/graph.cpp deleted file mode 100644 index e69de29b..00000000 diff --git a/tests/graphnet_sandbox/WeakReactionsGraph.svg b/tests/graphnet_sandbox/WeakReactionsGraph.svg deleted file mode 100644 index b70e338d..00000000 --- a/tests/graphnet_sandbox/WeakReactionsGraph.svg +++ /dev/null @@ -1,17411 +0,0 @@ - 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- - - - -Mg-24 - -Mg-24 - - - -Mg-24->reaction_mg24(p,g)al25 - - - - - -reaction_mg24(n,g)mg25 - - - - -Mg-24->reaction_mg24(n,g)mg25 - - - - - -Mg-24->reaction_mg24(a,g)si28 - - - - - -reaction_Mg-24(,ν)e+,Na-24 - - - - -Mg-24->reaction_Mg-24(,ν)e+,Na-24 - - - - - -reaction_Mg-24(e-,ν)Na-24 - - - - -Mg-24->reaction_Mg-24(e-,ν)Na-24 - - - - - -reaction_Mg-24(,ν|)e-,Al-24 - - - - -Mg-24->reaction_Mg-24(,ν|)e-,Al-24 - - - - - -reaction_Mg-24(e+,ν|)Al-24 - - - - -Mg-24->reaction_Mg-24(e+,ν|)Al-24 - - - - - -Mg-25 - -Mg-25 - - - -Mg-25->reaction_mg25(a,n)si28 - - - - - -Mg-25->reaction_mg25(a,g)si29 - - - - - -Mg-25->reaction_mg25(p,g)al26 - - - - - -reaction_mg25(n,g)mg26 - - - - -Mg-25->reaction_mg25(n,g)mg26 - - - - - -reaction_Mg-25(,ν)e+,Na-25 - - - - -Mg-25->reaction_Mg-25(,ν)e+,Na-25 - - - - - -reaction_Mg-25(e-,ν)Na-25 - - - - -Mg-25->reaction_Mg-25(e-,ν)Na-25 - - - - - -reaction_Mg-25(,ν|)e-,Al-25 - - - - -Mg-25->reaction_Mg-25(,ν|)e-,Al-25 - - - - - -reaction_Mg-25(e+,ν|)Al-25 - - - - -Mg-25->reaction_Mg-25(e+,ν|)Al-25 - - - - - -Mg-26 - -Mg-26 - - - -Mg-26->reaction_mg26(a,n)si29 - - - - - -reaction_mg26(n,g)mg27 - - - - -Mg-26->reaction_mg26(n,g)mg27 - - - - - -Mg-26->reaction_mg26(a,g)si30 - - - - - -Mg-26->reaction_mg26(p,g)al27 - - - - - -reaction_Mg-26(,ν)e+,Na-26 - - - - -Mg-26->reaction_Mg-26(,ν)e+,Na-26 - - - - - -reaction_Mg-26(e-,ν)Na-26 - - - - -Mg-26->reaction_Mg-26(e-,ν)Na-26 - - - - - -reaction_Mg-26(,ν|)e-,Al-26 - - - - -Mg-26->reaction_Mg-26(,ν|)e-,Al-26 - - - - - -reaction_Mg-26(e+,ν|)Al-26 - - - - -Mg-26->reaction_Mg-26(e+,ν|)Al-26 - - - - - -Mg-27 - -Mg-27 - - - -Mg-27->reaction_mg27(a,n)si30 - - - - - -Mg-27->reaction_mg27(a,g)si31 - - - - - -reaction_mg27(n,g)mg28 - - - - -Mg-27->reaction_mg27(n,g)mg28 - - - - - -Mg-27->reaction_mg27(p,n)al27 - - - - - -Mg-27->reaction_mg27(p,g)al28 - - - - - -reaction_mg27(e-,)al27 - - - - -Mg-27->reaction_mg27(e-,)al27 - - - - - -reaction_Mg-27(,ν)e+,Na-27 - - - - -Mg-27->reaction_Mg-27(,ν)e+,Na-27 - - - - - -reaction_Mg-27(e-,ν)Na-27 - - - - -Mg-27->reaction_Mg-27(e-,ν)Na-27 - - - - - -reaction_Mg-27(,ν|)e-,Al-27 - - - - -Mg-27->reaction_Mg-27(,ν|)e-,Al-27 - - - - - -reaction_Mg-27(e+,ν|)Al-27 - - - - -Mg-27->reaction_Mg-27(e+,ν|)Al-27 - - - - - -Mg-28 - -Mg-28 - - - -N-11 - -N-11 - - - -N-12 - -N-12 - - - -N-12->reaction_n12(a,p)o15 - - - - - -N-12->reaction_n12(p,g)o13 - - - - - -reaction_n12(,e+)c12 - - - - -N-12->reaction_n12(,e+)c12 - - - - - -reaction_N-12(,ν)e+,C-12 - - - - -N-12->reaction_N-12(,ν)e+,C-12 - - - - - -reaction_N-12(e-,ν)C-12 - - - - -N-12->reaction_N-12(e-,ν)C-12 - - - - - -reaction_N-12(,ν|)e-,O-12 - - - - -N-12->reaction_N-12(,ν|)e-,O-12 - - - - - -reaction_N-12(e+,ν|)O-12 - - - - -N-12->reaction_N-12(e+,ν|)O-12 - - - - - -N-13 - -N-13 - - - -N-13->reaction_n13(a,p)o16 - - - - - -reaction_n13(,e+)c13 - - - - -N-13->reaction_n13(,e+)c13 - - - - - -N-13->reaction_n13(p,g)o14 - - - - - -reaction_n13(n,g)n14 - - - - -N-13->reaction_n13(n,g)n14 - - - - - -reaction_N-13(,ν)e+,C-13 - - - - -N-13->reaction_N-13(,ν)e+,C-13 - - - - - -reaction_N-13(e-,ν)C-13 - - - - -N-13->reaction_N-13(e-,ν)C-13 - - - - - -reaction_N-13(,ν|)e-,O-13 - - - - -N-13->reaction_N-13(,ν|)e-,O-13 - - - - - -reaction_N-13(e+,ν|)O-13 - - - - -N-13->reaction_N-13(e+,ν|)O-13 - - - - - -N-14 - -N-14 - - - -N-14->reaction_n14(p,n)o14 - - - - - -N-14->reaction_n14(a,n)f17 - - - - - -N-14->reaction_n14(a,g)f18 - - - - - -N-14->reaction_n14(p,g)o15 - - - - - -reaction_n14(n,g)n15 - - - - -N-14->reaction_n14(n,g)n15 - - - - - -reaction_N-14(,ν)e+,C-14 - - - - -N-14->reaction_N-14(,ν)e+,C-14 - - - - - -reaction_N-14(e-,ν)C-14 - - - - -N-14->reaction_N-14(e-,ν)C-14 - - - - - -reaction_N-14(,ν|)e-,O-14 - - - - -N-14->reaction_N-14(,ν|)e-,O-14 - - - - - -reaction_N-14(e+,ν|)O-14 - - - - -N-14->reaction_N-14(e+,ν|)O-14 - - - - - -N-15 - -N-15 - - - -N-15->reaction_n15(p,n)o15 - - - - - -N-15->reaction_n15(a,g)f19 - - - - - -N-15->reaction_n15(p,g)o16 - - - - - -reaction_n15(n,g)n16 - - - - -N-15->reaction_n15(n,g)n16 - - - - - -reaction_N-15(,ν)e+,C-15 - - - - -N-15->reaction_N-15(,ν)e+,C-15 - - - - - -reaction_N-15(e-,ν)C-15 - - - - -N-15->reaction_N-15(e-,ν)C-15 - - - - - -reaction_N-15(,ν|)e-,O-15 - - - - -N-15->reaction_N-15(,ν|)e-,O-15 - - - - - -reaction_N-15(e+,ν|)O-15 - - - - -N-15->reaction_N-15(e+,ν|)O-15 - - - - - -N-16 - -N-16 - - - -N-16->reaction_n16(p,n)o16 - - - - - -reaction_n16(n,g)n17 - - - - -N-16->reaction_n16(n,g)n17 - - - - - -N-16->reaction_n16(a,n)f19 - - - - - -reaction_n16(,e- a)c12 - - - - -N-16->reaction_n16(,e- a)c12 - - - - - -reaction_n16(e-,)o16 - - - - -N-16->reaction_n16(e-,)o16 - - - - - -reaction_N-16(,ν)e+,C-16 - - - - -N-16->reaction_N-16(,ν)e+,C-16 - - - - - -reaction_N-16(e-,ν)C-16 - - - - -N-16->reaction_N-16(e-,ν)C-16 - - - - - -reaction_N-16(,ν|)e-,O-16 - - - - -N-16->reaction_N-16(,ν|)e-,O-16 - - - - - -reaction_N-16(e+,ν|)O-16 - - - - -N-16->reaction_N-16(e+,ν|)O-16 - - - - - -N-17 - -N-17 - - - -reaction_n17(n,g)n18 - - - - -N-17->reaction_n17(n,g)n18 - - - - - -reaction_n17(e-,)o17 - - - - -N-17->reaction_n17(e-,)o17 - - - - - -reaction_n17(,e- n)o16 - - - - -N-17->reaction_n17(,e- n)o16 - - - - - -reaction_N-17(,ν)e+,C-17 - - - - -N-17->reaction_N-17(,ν)e+,C-17 - - - - - -reaction_N-17(e-,ν)C-17 - - - - -N-17->reaction_N-17(e-,ν)C-17 - - - - - -reaction_N-17(,ν|)e-,O-17 - - - - -N-17->reaction_N-17(,ν|)e-,O-17 - - - - - -reaction_N-17(e+,ν|)O-17 - - - - -N-17->reaction_N-17(e+,ν|)O-17 - - - - - -N-18 - -N-18 - - - -N-20 - -N-20 - - - -Na-17 - -Na-17 - - - -Na-18 - -Na-18 - - - -Na-19 - -Na-19 - - - -Na-20 - -Na-20 - - - -Na-20->reaction_na20(a,p)mg23 - - - - - -reaction_na20(,e+)ne20 - - - - -Na-20->reaction_na20(,e+)ne20 - - - - - -Na-20->reaction_na20(a,g)al24 - - - - - -Na-20->reaction_na20(p,g)mg21 - - - - - -reaction_na20(n,g)na21 - - - - -Na-20->reaction_na20(n,g)na21 - - - - - -reaction_na20(,e+ a)o16 - - - - -Na-20->reaction_na20(,e+ a)o16 - - - - - -reaction_Na-20(,ν)e+,Ne-20 - - - - -Na-20->reaction_Na-20(,ν)e+,Ne-20 - - - - - -reaction_Na-20(e-,ν)Ne-20 - - - - -Na-20->reaction_Na-20(e-,ν)Ne-20 - - - - - -reaction_Na-20(,ν|)e-,Mg-20 - - - - -Na-20->reaction_Na-20(,ν|)e-,Mg-20 - - - - - -reaction_Na-20(e+,ν|)Mg-20 - - - - -Na-20->reaction_Na-20(e+,ν|)Mg-20 - - - - - -Na-21 - -Na-21 - - - -Na-21->reaction_na21(a,g)al25 - - - - - -reaction_na21(n,g)na22 - - - - -Na-21->reaction_na21(n,g)na22 - - - - - -Na-21->reaction_na21(p,g)mg22 - - - - - -reaction_na21(,e+)ne21 - - - - -Na-21->reaction_na21(,e+)ne21 - - - - - -reaction_Na-21(,ν)e+,Ne-21 - - - - -Na-21->reaction_Na-21(,ν)e+,Ne-21 - - - - - -reaction_Na-21(e-,ν)Ne-21 - - - - -Na-21->reaction_Na-21(e-,ν)Ne-21 - - - - - -reaction_Na-21(,ν|)e-,Mg-21 - - - - -Na-21->reaction_Na-21(,ν|)e-,Mg-21 - - - - - -reaction_Na-21(e+,ν|)Mg-21 - - - - -Na-21->reaction_Na-21(e+,ν|)Mg-21 - - - - - -Na-22 - -Na-22 - - - -Na-22->reaction_na22(a,p)mg25 - - - - - -reaction_na22(n,g)na23 - - - - -Na-22->reaction_na22(n,g)na23 - - - - - -Na-22->reaction_na22(p,g)mg23 - - - - - -Na-22->reaction_na22(a,g)al26 - - - - - -reaction_na22(,e+)ne22 - - - - -Na-22->reaction_na22(,e+)ne22 - - - - - -reaction_Na-22(,ν)e+,Ne-22 - - - - -Na-22->reaction_Na-22(,ν)e+,Ne-22 - - - - - -reaction_Na-22(e-,ν)Ne-22 - - - - -Na-22->reaction_Na-22(e-,ν)Ne-22 - - - - - -reaction_Na-22(,ν|)e-,Mg-22 - - - - -Na-22->reaction_Na-22(,ν|)e-,Mg-22 - - - - - -reaction_Na-22(e+,ν|)Mg-22 - - - - -Na-22->reaction_Na-22(e+,ν|)Mg-22 - - - - - -Na-23 - -Na-23 - - - -Na-23->reaction_na23(a,g)al27 - - - - - -Na-23->reaction_na23(p,g)mg24 - - - - - -reaction_na23(n,g)na24 - - - - -Na-23->reaction_na23(n,g)na24 - - - - - -Na-23->reaction_na23(p,n)mg23 - - - - - -Na-23->reaction_na23(a,p)mg26 - - - - - -reaction_Na-23(,ν)e+,Ne-23 - - - - -Na-23->reaction_Na-23(,ν)e+,Ne-23 - - - - - -reaction_Na-23(e-,ν)Ne-23 - - - - -Na-23->reaction_Na-23(e-,ν)Ne-23 - - - - - -reaction_Na-23(,ν|)e-,Mg-23 - - - - -Na-23->reaction_Na-23(,ν|)e-,Mg-23 - - - - - -reaction_Na-23(e+,ν|)Mg-23 - - - - -Na-23->reaction_Na-23(e+,ν|)Mg-23 - - - - - -Na-24 - -Na-24 - - - -Na-24->reaction_na24(a,p)mg27 - - - - - -Na-24->reaction_na24(a,n)al27 - - - - - -Na-24->reaction_na24(p,n)mg24 - - - - - -reaction_na24(n,g)na25 - - - - -Na-24->reaction_na24(n,g)na25 - - - - - -Na-24->reaction_na24(p,g)mg25 - - - - - -reaction_na24(e-,)mg24 - - - - -Na-24->reaction_na24(e-,)mg24 - - - - - -Na-24->reaction_na24(a,g)al28 - - - - - -reaction_Na-24(,ν)e+,Ne-24 - - - - -Na-24->reaction_Na-24(,ν)e+,Ne-24 - - - - - -reaction_Na-24(e-,ν)Ne-24 - - - - -Na-24->reaction_Na-24(e-,ν)Ne-24 - - - - - -reaction_Na-24(,ν|)e-,Mg-24 - - - - -Na-24->reaction_Na-24(,ν|)e-,Mg-24 - - - - - -reaction_Na-24(e+,ν|)Mg-24 - - - - -Na-24->reaction_Na-24(e+,ν|)Mg-24 - - - - - -Na-25 - -Na-25 - - - -Na-25->reaction_na25(a,n)al28 - - - - - -Na-25->reaction_na25(a,p)mg28 - - - - - -Na-25->reaction_na25(p,g)mg26 - - - - - -Na-25->reaction_na25(p,n)mg25 - - - - - -Na-25->reaction_na25(a,g)al29 - - - - - -reaction_na25(e-,)mg25 - - - - -Na-25->reaction_na25(e-,)mg25 - - - - - -reaction_na25(n,g)na26 - - - - -Na-25->reaction_na25(n,g)na26 - - - - - -reaction_Na-25(,ν)e+,Ne-25 - - - - -Na-25->reaction_Na-25(,ν)e+,Ne-25 - - - - - -reaction_Na-25(e-,ν)Ne-25 - - - - -Na-25->reaction_Na-25(e-,ν)Ne-25 - - - - - -reaction_Na-25(,ν|)e-,Mg-25 - - - - -Na-25->reaction_Na-25(,ν|)e-,Mg-25 - - - - - -reaction_Na-25(e+,ν|)Mg-25 - - - - -Na-25->reaction_Na-25(e+,ν|)Mg-25 - - - - - -Na-26 - -Na-26 - - - -Na-27 - -Na-27 - - - -Ne-15 - -Ne-15 - - - -Ne-16 - -Ne-16 - - - -Ne-16->reaction_ne16(a,p)na19 - - - - - -Ne-16->reaction_ne16(a,g)mg20 - - - - - -reaction_ne16(n,g)ne17 - - - - -Ne-16->reaction_ne16(n,g)ne17 - - - - - -reaction_Ne-16(,ν)e+,F-16 - - - - -Ne-16->reaction_Ne-16(,ν)e+,F-16 - - - - - -reaction_Ne-16(e-,ν)F-16 - - - - -Ne-16->reaction_Ne-16(e-,ν)F-16 - - - - - -Ne-17 - -Ne-17 - - - -Ne-17->reaction_ne17(a,g)mg21 - - - - - -reaction_ne17(n,g)ne18 - - - - -Ne-17->reaction_ne17(n,g)ne18 - - - - - -Ne-17->reaction_ne17(a,p)na20 - - - - - -reaction_ne17(,e+ p)o16 - - - - -Ne-17->reaction_ne17(,e+ p)o16 - - - - - -reaction_ne17(,e+)f17 - - - - -Ne-17->reaction_ne17(,e+)f17 - - - - - -reaction_Ne-17(,ν)e+,F-17 - - - - -Ne-17->reaction_Ne-17(,ν)e+,F-17 - - - - - -reaction_Ne-17(e-,ν)F-17 - - - - -Ne-17->reaction_Ne-17(e-,ν)F-17 - - - - - -reaction_Ne-17(,ν|)e-,Na-17 - - - - -Ne-17->reaction_Ne-17(,ν|)e-,Na-17 - - - - - -reaction_Ne-17(e+,ν|)Na-17 - - - - -Ne-17->reaction_Ne-17(e+,ν|)Na-17 - - - - - -Ne-18 - -Ne-18 - - - -Ne-18->reaction_ne18(a,p)na21 - - - - - -Ne-18->reaction_ne18(a,g)mg22 - - - - - -reaction_ne18(n,g)ne19 - - - - -Ne-18->reaction_ne18(n,g)ne19 - - - - - -Ne-18->reaction_ne18(p,)na19 - - - - - -reaction_ne18(,e+)f18 - - - - -Ne-18->reaction_ne18(,e+)f18 - - - - - -reaction_Ne-18(,ν)e+,F-18 - - - - -Ne-18->reaction_Ne-18(,ν)e+,F-18 - - - - - -reaction_Ne-18(e-,ν)F-18 - - - - -Ne-18->reaction_Ne-18(e-,ν)F-18 - - - - - -reaction_Ne-18(,ν|)e-,Na-18 - - - - -Ne-18->reaction_Ne-18(,ν|)e-,Na-18 - - - - - -reaction_Ne-18(e+,ν|)Na-18 - - - - -Ne-18->reaction_Ne-18(e+,ν|)Na-18 - - - 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- -2.46626 MeV - - - -reaction_Na-22(,ν)e+,Ne-22->Ne-22 - - -2.84332 MeV - - - -reaction_Na-22(e-,ν)Ne-22->Ne-22 - - -2.84332 MeV - - - -reaction_Na-22(,ν|)e-,Mg-22->Mg-22 - - --4.78141 MeV - - - -reaction_Na-22(e+,ν|)Mg-22->Mg-22 - - --4.78141 MeV - - - -reaction_B-8(,ν)e+,Be-8->Be-8 - - -17.9799 MeV - - - -reaction_B-8(e-,ν)Be-8->Be-8 - - -17.9799 MeV - - - -reaction_B-8(,ν|)e-,C-8->C-8 - - --12.1427 MeV - - - -reaction_B-8(e+,ν|)C-8->C-8 - - --12.1427 MeV - - - -reaction_Ar-35(,ν)e+,Cl-35->Cl-35 - - -5.96624 MeV - - - -reaction_Ar-35(e-,ν)Cl-35->Cl-35 - - -5.96624 MeV - - - -reaction_Ar-35(,ν|)e-,K-35->K-35 - - --11.8744 MeV - - - -reaction_Ar-35(e+,ν|)K-35->K-35 - - --11.8744 MeV - - - -reaction_F-18(,ν)e+,O-18->O-18 - - -1.65593 MeV - - - -reaction_F-18(e-,ν)O-18->O-18 - - -1.65593 MeV - - - -reaction_F-18(,ν|)e-,Ne-18->Ne-18 - - --4.4445 MeV - - - -reaction_F-18(e+,ν|)Ne-18->Ne-18 - - --4.4445 MeV - - - -reaction_Ne-21(,ν)e+,F-21->F-21 - - --5.68417 MeV - - - -reaction_Ne-21(e-,ν)F-21->F-21 - - --5.68417 MeV - - - -reaction_Ne-21(,ν|)e-,Na-21->Na-21 - - --3.54692 MeV - - - -reaction_Ne-21(e+,ν|)Na-21->Na-21 - - --3.54692 MeV - - - -reaction_Cl-35(,ν)e+,S-35->S-35 - - --0.167321 MeV - - - -reaction_Cl-35(e-,ν)S-35->S-35 - - --0.167321 MeV - - - -reaction_Cl-35(,ν|)e-,Ar-35->Ar-35 - - --5.96624 MeV - - - -reaction_Cl-35(e+,ν|)Ar-35->Ar-35 - - --5.96624 MeV - - - -reaction_O-18(,ν)e+,N-18->N-18 - - --13.896 MeV - - - -reaction_O-18(e-,ν)N-18->N-18 - - --13.896 MeV - - - -reaction_O-18(,ν|)e-,F-18->F-18 - - --1.65593 MeV - - - -reaction_O-18(e+,ν|)F-18->F-18 - - --1.65593 MeV - - - -reaction_F-21(,ν)e+,O-21->O-21 - - --8.10964 MeV - - - -reaction_F-21(e-,ν)O-21->O-21 - - --8.10964 MeV - - - -reaction_F-21(,ν|)e-,Ne-21->Ne-21 - - -5.68417 MeV - - - -reaction_F-21(e+,ν|)Ne-21->Ne-21 - - -5.68417 MeV - - - -reaction_Be-7(,ν)e+,Li-7->Li-7 - - -0.861893 MeV - - - -reaction_Be-7(e-,ν)Li-7->Li-7 - - -0.861893 MeV - - - -reaction_Be-7(,ν|)e-,B-7->B-7 - - --11.9076 MeV - - - -reaction_Be-7(e+,ν|)B-7->B-7 - - --11.9076 MeV - - - -reaction_Na-23(,ν)e+,Ne-23->Ne-23 - - --4.37581 MeV - - - -reaction_Na-23(e-,ν)Ne-23->Ne-23 - - --4.37581 MeV - - - -reaction_Na-23(,ν|)e-,Mg-23->Mg-23 - - --4.05618 MeV - - - -reaction_Na-23(e+,ν|)Mg-23->Mg-23 - - --4.05618 MeV - - - -reaction_C-13(,ν)e+,B-13->B-13 - - --13.4369 MeV - - - -reaction_C-13(e-,ν)B-13->B-13 - - --13.4369 MeV - - - -reaction_C-13(,ν|)e-,N-13->N-13 - - --2.22047 MeV - - - -reaction_C-13(e+,ν|)N-13->N-13 - - --2.22047 MeV - - - -reaction_O-17(,ν)e+,N-17->N-17 - - --8.67884 MeV - - - -reaction_O-17(e-,ν)N-17->N-17 - - --8.67884 MeV - - - -reaction_O-17(,ν|)e-,F-17->F-17 - - --2.76047 MeV - - - -reaction_O-17(e+,ν|)F-17->F-17 - - --2.76047 MeV - - - -reaction_F-20(,ν)e+,O-20->O-20 - - --3.81363 MeV - - - -reaction_F-20(e-,ν)O-20->O-20 - - --3.81363 MeV - - - -reaction_F-20(,ν|)e-,Ne-20->Ne-20 - - -7.02447 MeV - - - -reaction_F-20(e+,ν|)Ne-20->Ne-20 - - -7.02447 MeV - - - -reaction_Ne-23(,ν)e+,F-23->F-23 - - --8.43931 MeV - - - -reaction_Ne-23(e-,ν)F-23->F-23 - - --8.43931 MeV - - - -reaction_Ne-23(,ν|)e-,Na-23->Na-23 - - -4.37581 MeV - - - -reaction_Ne-23(e+,ν|)Na-23->Na-23 - - -4.37581 MeV - - - -reaction_Li-6(,ν)e+,He-6->He-6 - - --3.50521 MeV - - - -reaction_Li-6(e-,ν)He-6->He-6 - - --3.50521 MeV - - - -reaction_Li-6(,ν|)e-,Be-6->Be-6 - - --4.28815 MeV - - - -reaction_Li-6(e+,ν|)Be-6->Be-6 - - --4.28815 MeV - - - diff --git a/tests/graphnet_sandbox/main.cpp b/tests/graphnet_sandbox/main.cpp index f4dd0d94..ef2ca0a3 100644 --- a/tests/graphnet_sandbox/main.cpp +++ b/tests/graphnet_sandbox/main.cpp @@ -23,89 +23,122 @@ #include "fourdst/atomic/species.h" #include "fourdst/composition/utils.h" +#include "gridfire/exceptions/error_solver.h" + +#include + +#include "gridfire/reaction/reaclib.h" +#include "gridfire/solver/strategies/CVODE_solver_strategy.h" static std::terminate_handler g_previousHandler = nullptr; +boost::json::object g_reaction_contribution_history; +static std::vector>>> g_callbackHistory; +static bool s_wrote_abundance_history = false; +static bool s_wrote_reaction_history = false; +void quill_terminate_handler(); -void quill_terminate_handler() -{ - quill::Backend::stop(); - if (g_previousHandler) - g_previousHandler(); - else - std::abort(); + +inline std::unique_ptr build_partition_function() { + using gridfire::partition::BasePartitionType; + const auto partitionFunction = gridfire::partition::CompositePartitionFunction({ + BasePartitionType::RauscherThielemann, + BasePartitionType::GroundState + }); + return std::make_unique(partitionFunction); } -gridfire::NetIn init() { +gridfire::NetIn init(const double temp) { std::setlocale(LC_ALL, ""); g_previousHandler = std::set_terminate(quill_terminate_handler); quill::Logger* logger = fourdst::logging::LogManager::getInstance().getLogger("log"); - logger->set_log_level(quill::LogLevel::TraceL1); + logger->set_log_level(quill::LogLevel::TraceL2); using namespace gridfire; const std::vector X = {0.7081145999999999, 2.94e-5, 0.276, 0.003, 0.0011, 9.62e-3, 1.62e-3, 5.16e-4}; const std::vector symbols = {"H-1", "He-3", "He-4", "C-12", "N-14", "O-16", "Ne-20", "Mg-24"}; - fourdst::composition::Composition composition = fourdst::composition::buildCompositionFromMassFractions(symbols, X); + const fourdst::composition::Composition composition = fourdst::composition::buildCompositionFromMassFractions(symbols, X); NetIn netIn; netIn.composition = composition; - netIn.temperature = 1.5e7; - netIn.density = 1.6e2; + netIn.temperature = temp; + netIn.density = 1.5e2; netIn.energy = 0; - netIn.tMax = 3e16; + netIn.tMax = 3e17; netIn.dt0 = 1e-12; return netIn; } void log_results(const gridfire::NetOut& netOut, const gridfire::NetIn& netIn) { - double initialH1_X = netIn.composition.getMassFraction("H-1"); - double finalH1_X = netOut.composition.getMassFraction("H-1"); - double deltaH1_X = finalH1_X - initialH1_X; - double fractionalChangeH1 = (deltaH1_X) / initialH1_X * 100.0; + std::vector logSpecies = { + fourdst::atomic::H_1, + fourdst::atomic::He_3, + fourdst::atomic::He_4, + fourdst::atomic::C_12, + fourdst::atomic::N_14, + fourdst::atomic::O_16, + fourdst::atomic::Ne_20, + fourdst::atomic::Mg_24 + }; - double initialHe4_X = netIn.composition.getMassFraction("He-4"); - double finalHe4_X = netOut.composition.getMassFraction("He-4"); - double deltaHe4_X = finalHe4_X - initialHe4_X; - double fractionalChangeHe4 = (deltaHe4_X) / initialHe4_X * 100.0; + std::vector initial; + std::vector final; + std::vector delta; + std::vector fractional; + for (const auto& species : logSpecies) { + double initial_X = netIn.composition.getMassFraction(species); + double final_X = netOut.composition.getMassFraction(species); + double delta_X = final_X - initial_X; + double fractionalChange = (delta_X) / initial_X * 100.0; - double initialBe7_X = 0.0; - double finalBe7_X = netOut.composition.getMassFraction("Be-7"); - double deltaBe7_X = finalBe7_X - initialBe7_X; - double fractionalChangeBe7 = (deltaBe7_X) / initialBe7_X * 100.0; + initial.push_back(initial_X); + final.push_back(final_X); + delta.push_back(delta_X); + fractional.push_back(fractionalChange); + } - double initialC12_X = netIn.composition.getMassFraction("C-12"); - double finalC12_X = netOut.composition.getMassFraction("C-12"); - double deltaC12_X = finalC12_X - initialC12_X; - double fractionalChangeC12 = (deltaC12_X) / initialC12_X * 100.0; + initial.push_back(0.0); // Placeholder for energy + final.push_back(netOut.energy); + delta.push_back(netOut.energy); + fractional.push_back(0.0); // Placeholder for energy - double finalEnergy = netOut.energy; - double dEpsdT = netOut.dEps_dT; - double dEpsdRho = netOut.dEps_dRho; + initial.push_back(0.0); + final.push_back(netOut.dEps_dT); + delta.push_back(netOut.dEps_dT); + fractional.push_back(0.0); - double initialMeanMolecularMass = netIn.composition.getMeanParticleMass(); - double finalMeanMolecularMass = netOut.composition.getMeanParticleMass(); + initial.push_back(0.0); + final.push_back(netOut.dEps_dRho); + delta.push_back(netOut.dEps_dRho); + fractional.push_back(0.0); - std::vector rowLabels = {"H-1", "He-4", "Be-7", "C-12", "ε", "dε/dT", "dε/dρ", "<μ>"}; - std::vector header = {"Parameter", "Initial", "Final", "Δ", "% Change"}; - std::vector H1Data = {initialH1_X, finalH1_X, deltaH1_X, fractionalChangeH1}; - std::vector He4Data = {initialHe4_X, finalHe4_X, deltaHe4_X, fractionalChangeHe4}; - std::vector Be7Data = {initialBe7_X, finalBe7_X, deltaBe7_X, fractionalChangeBe7}; - std::vector C12Data = {initialC12_X, finalC12_X, deltaC12_X, fractionalChangeC12}; - std::vector energyData = {0.0, finalEnergy, finalEnergy, 0.0}; - std::vector dEpsdTData = {0.0, dEpsdT, dEpsdT, 0.0}; - std::vector dEpsdRhoData = {0.0, dEpsdRho, dEpsdRho, 0.0}; - std::vector meanMolecularMassData = {initialMeanMolecularMass, finalMeanMolecularMass, finalMeanMolecularMass - initialMeanMolecularMass, - (finalMeanMolecularMass - initialMeanMolecularMass) / initialMeanMolecularMass * 100.0}; + initial.push_back(netIn.composition.getMeanParticleMass()); + final.push_back(netOut.composition.getMeanParticleMass()); + delta.push_back(final.back() - initial.back()); + fractional.push_back((final.back() - initial.back()) / initial.back() * 100.0); - gridfire::utils::Column paramCol(header[0], rowLabels); - gridfire::utils::Column initialCol(header[1], {H1Data[0], He4Data[0], Be7Data[0], C12Data[0], energyData[0], dEpsdTData[0], dEpsdRhoData[0], meanMolecularMassData[0]}); - gridfire::utils::Column finalCol (header[2], {H1Data[1], He4Data[1], Be7Data[1], C12Data[1], energyData[1], dEpsdTData[1], dEpsdRhoData[1], meanMolecularMassData[1]}); - gridfire::utils::Column deltaCol (header[3], {H1Data[2], He4Data[2], Be7Data[2], C12Data[2], energyData[2], dEpsdTData[2], dEpsdRhoData[2], meanMolecularMassData[2]}); - gridfire::utils::Column percentCol(header[4], {H1Data[3], He4Data[3], Be7Data[3], C12Data[3], energyData[3], dEpsdTData[3], dEpsdRhoData[3], meanMolecularMassData[3]}); + std::vector rowLabels = [&]() -> std::vector { + std::vector labels; + for (const auto& species : logSpecies) { + labels.push_back(std::string(species.name())); + } + labels.push_back("ε"); + labels.push_back("dε/dT"); + labels.push_back("dε/dρ"); + labels.push_back("<μ>"); + return labels; + }(); + + + gridfire::utils::Column paramCol("Parameter", rowLabels); + gridfire::utils::Column initialCol("Initial", initial); + gridfire::utils::Column finalCol ("Final", final); + gridfire::utils::Column deltaCol ("δ", delta); + gridfire::utils::Column percentCol("% Change", fractional); std::vector> columns; columns.push_back(std::make_unique>(paramCol)); @@ -119,17 +152,59 @@ void log_results(const gridfire::NetOut& netOut, const gridfire::NetIn& netIn) { } -static std::vector>>> g_callbackHistory; void record_abundance_history_callback(const gridfire::solver::CVODESolverStrategy::TimestepContext& ctx) { + s_wrote_abundance_history = true; const auto& engine = ctx.engine; - std::unordered_map> abundances; + // std::unordered_map> abundances; + std::vector Y; for (const auto& species : engine.getNetworkSpecies()) { const size_t sid = engine.getSpeciesIndex(species); - abundances[std::string(species.name())] = std::make_pair(species.mass(), N_VGetArrayPointer(ctx.state)[sid]); + double y = N_VGetArrayPointer(ctx.state)[sid]; + Y.push_back(y > 0.0 ? y : 0.0); // Regularize tiny negative abundances to zero + } + + fourdst::composition::Composition comp(engine.getNetworkSpecies(), Y); + + + std::unordered_map> abundances; + for (const auto& sp : comp | std::views::keys) { + abundances.emplace(std::string(sp.name()), std::make_pair(sp.mass(), comp.getMolarAbundance(sp))); } g_callbackHistory.emplace_back(ctx.t, abundances); } +size_t g_iters = 0; +void record_contribution_callback(const gridfire::solver::CVODESolverStrategy::TimestepContext& ctx) { + s_wrote_reaction_history = true; + boost::json::object timestep; + boost::json::object reaction_contribution; + boost::json::object species_abundance; + std::set activeSpecies(ctx.engine.getNetworkSpecies().begin(), ctx.engine.getNetworkSpecies().end()); + for (const auto& [species, contributions] : ctx.reactionContributionMap) { + boost::json::object species_obj; + for (const auto& [reaction_id, contribution] : contributions) { + species_obj[reaction_id] = contribution; + } + reaction_contribution[std::string(species.name())] = species_obj; + + double y; + if (activeSpecies.contains(species)) { + const size_t sid = ctx.engine.getSpeciesIndex(species); + y = N_VGetArrayPointer(ctx.state)[sid]; + } else { + y = 0.0; + } + + species_abundance[std::string(species.name())] = y; + } + timestep["t"] = ctx.t; + timestep["dt"] = ctx.dt; + timestep["reaction_contribution"] = reaction_contribution; + timestep["species_abundance"] = species_abundance; + g_reaction_contribution_history[std::to_string(g_iters)] = timestep; + g_iters++; +} + void save_callback_data(const std::string_view filename) { std::set unique_species; for (const auto &abundances: g_callbackHistory | std::views::values) { @@ -171,18 +246,46 @@ void save_callback_data(const std::string_view filename) { csvFile.close(); } +void log_callback_data() { + if (s_wrote_abundance_history) { + std::cout << "Saving abundance history to abundance_history.csv" << std::endl; + save_callback_data("abundance_history.csv"); + } + + if (s_wrote_reaction_history) { + std::cout << "Saving reaction history to reaction_contribution_history.json" << std::endl; + std::ofstream jsonFile("reaction_contribution_history.json", std::ios::out); + jsonFile << boost::json::serialize(g_reaction_contribution_history); + jsonFile.close(); + } +} + +void quill_terminate_handler() +{ + log_callback_data(); + quill::Backend::stop(); + if (g_previousHandler) + g_previousHandler(); + else + std::abort(); +} + +void callback_main(const gridfire::solver::CVODESolverStrategy::TimestepContext& ctx) { + record_abundance_history_callback(ctx); + record_contribution_callback(ctx); +} + int main() { using namespace gridfire; - const NetIn netIn = init(); + const NetIn netIn = init(1.5e7); policy::MainSequencePolicy stellarPolicy(netIn.composition); + stellarPolicy.construct(); DynamicEngine& engine = stellarPolicy.construct(); solver::CVODESolverStrategy solver(engine); - solver.set_callback(solver::CVODESolverStrategy::TimestepCallback(record_abundance_history_callback)); - - const NetOut netOut = solver.evaluate(netIn, false); - + solver.set_callback(solver::CVODESolverStrategy::TimestepCallback(callback_main)); + const NetOut netOut = solver.evaluate(netIn); log_results(netOut, netIn); - save_callback_data("abundance_history.csv"); + log_callback_data(); } \ No newline at end of file diff --git a/tests/graphnet_sandbox/post.dat b/tests/graphnet_sandbox/post.dat deleted file mode 100644 index e69de29b..00000000 diff --git a/tests/graphnet_sandbox/prior.dat b/tests/graphnet_sandbox/prior.dat deleted file mode 100644 index e69de29b..00000000