From 11cb738ce7cb8990ec4f676ddc5e2199680f0297 Mon Sep 17 00:00:00 2001 From: Gordon McCann Date: Thu, 9 Jun 2022 16:24:29 -0400 Subject: [PATCH] First commit --- .gitignore | 18 + CMakeLists.txt | 10 + etc/mass.txt | 2501 +++++++++++++++++++++++++++++++++++++++++ src/CMakeLists.txt | 17 + src/CubicSpline.cpp | 235 ++++ src/CubicSpline.h | 55 + src/GenerateTable.cpp | 11 + src/GenerateTable.h | 29 + src/MassLookup.cpp | 73 ++ src/MassLookup.h | 45 + src/PunchTable.cpp | 109 ++ src/PunchTable.h | 30 + src/main.cpp | 111 ++ 13 files changed, 3244 insertions(+) create mode 100644 .gitignore create mode 100644 CMakeLists.txt create mode 100644 etc/mass.txt create mode 100644 src/CMakeLists.txt create mode 100644 src/CubicSpline.cpp create mode 100644 src/CubicSpline.h create mode 100644 src/GenerateTable.cpp create mode 100644 src/GenerateTable.h create mode 100644 src/MassLookup.cpp create mode 100644 src/MassLookup.h create mode 100644 src/PunchTable.cpp create mode 100644 src/PunchTable.h create mode 100644 src/main.cpp diff --git a/.gitignore b/.gitignore new file mode 100644 index 0000000..de78f2b --- /dev/null +++ b/.gitignore @@ -0,0 +1,18 @@ +build/ +bin/ +lib/ +include/ +.vscode/ + +*.o +*.so +*.dylib +*.a +*.dll +*.lib +*.root +*.swp +.DS_Store + + +!.gitignore \ No newline at end of file diff --git a/CMakeLists.txt b/CMakeLists.txt new file mode 100644 index 0000000..80e49ef --- /dev/null +++ b/CMakeLists.txt @@ -0,0 +1,10 @@ +cmake_minimum_required(VERSION 3.16) + +project(PunchTable) + +set(CXX_STANDARD 17) + +set(PUNCHTABLE_BINARY_DIR ${CMAKE_CURRENT_SOURCE_DIR}/bin) + +add_subdirectory(src/vendor/catima) +add_subdirectory(src) \ No newline at end of file diff --git a/etc/mass.txt b/etc/mass.txt new file mode 100644 index 0000000..da4e88f --- /dev/null +++ b/etc/mass.txt @@ -0,0 +1,2501 @@ + N Z A EL ATOMIC MASS + (micro-u) + 1 0 1 n 1 008664.91582 + 0 1 1 H 1 007825.03224 + 1 1 2 H 2 014101.77811 + 2 1 3 H 3 016049.28199 + 1 2 3 He 3 016029.32265 + 3 1 4 H 4 026431.868 + 2 2 4 He 4 002603.25413 + 1 3 4 Li 4 027185.562 + 4 1 5 H 5 035311.493 + 3 2 5 He 5 012057.224 + 2 3 5 Li 5 012537.800 + 5 1 6 H 6 044955.437 + 4 2 6 He 6 018885.891 + 3 3 6 Li 6 015122.88742 + 2 4 6 Be 6 019726.409 + 5 2 7 He 7 027990.654 + 4 3 7 Li 7 016003.43666 + 3 4 7 Be 7 016928.717 + 2 5 7 B 7 029712.000 + 6 2 8 He 8 033934.390 + 5 3 8 Li 8 022486.246 + 4 4 8 Be 8 005305.102 + 3 5 8 B 8 024607.316 + 2 6 8 C 8 037643.042 + 7 2 9 He 9 043946.419 + 6 3 9 Li 9 026790.191 + 5 4 9 Be 9 012183.066 + 4 5 9 B 9 013329.649 + 3 6 9 C 9 031037.207 + 8 2 10 He 10 052815.308 + 7 3 10 Li 10 035483.453 + 6 4 10 Be 10 013534.695 + 5 5 10 B 10 012936.862 + 4 6 10 C 10 016853.218 + 3 7 10 N 10 041653.543 + 8 3 11 Li 11 043723.581 + 7 4 11 Be 11 021661.081 + 6 5 11 B 11 009305.166 + 5 6 11 C 11 011432.597 + 4 7 11 N 11 026090.945 + 9 3 12 Li 12 052613.941 + 8 4 12 Be 12 026922.083 + 7 5 12 B 12 014352.638 + 6 6 12 C 12 000000.0 + 5 7 12 N 12 018613.182 + 4 8 12 O 12 034261.747 + 10 3 13 Li 13 061171.503 + 9 4 13 Be 13 036134.507 + 8 5 13 B 13 017779.981 + 7 6 13 C 13 003354.83521 + 6 7 13 N 13 005738.609 + 5 8 13 O 13 024815.437 + 10 4 14 Be 14 042892.920 + 9 5 14 B 14 025404.012 + 8 6 14 C 14 003241.98843 + 7 7 14 N 14 003074.00446 + 6 8 14 O 14 008596.706 + 5 9 14 F 14 034315.199 + 11 4 15 Be 15 053490.215 + 10 5 15 B 15 031087.953 + 9 6 15 C 15 010599.256 + 8 7 15 N 15 000108.89894 + 7 8 15 O 15 003065.618 + 6 9 15 F 15 017785.139 + 5 10 15 Ne 15 043172.980 + 12 4 16 Be 16 061672.036 + 11 5 16 B 16 039841.920 + 10 6 16 C 16 014701.256 + 9 7 16 N 16 006101.925 + 8 8 16 O 15 994914.61960 + 7 9 16 F 16 011465.723 + 6 10 16 Ne 16 025750.864 + 12 5 17 B 17 046931.399 + 11 6 17 C 17 022578.672 + 10 7 17 N 17 008448.877 + 9 8 17 O 16 999131.75664 + 8 9 17 F 17 002095.238 + 7 10 17 Ne 17 017713.959 + 6 11 17 Na 17 037760.000 + 13 5 18 B 18 055601.682 + 12 6 18 C 18 026751.932 + 11 7 18 N 18 014077.565 + 10 8 18 O 17 999159.61284 + 9 9 18 F 18 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958722.669 + 111 78 189 Pt 188 960848.542 + 110 79 189 Au 188 963948.286 + 109 80 189 Hg 188 968194.748 + 108 81 189 Tl 188 973573.527 + 107 82 189 Pb 188 980843.639 + 106 83 189 Bi 188 989195.141 + 105 84 189 Po 188 998473.415 + 116 74 190 W 189 963089.066 + 115 75 190 Re 189 961743.360 + 114 76 190 Os 189 958445.496 + 113 77 190 Ir 189 960543.445 + 112 78 190 Pt 189 959949.876 + 111 79 190 Au 189 964751.750 + 110 80 190 Hg 189 966322.169 + 109 81 190 Tl 189 973835.551 + 108 82 190 Pb 189 978081.828 + 107 83 190 Bi 189 988620.883 + 106 84 190 Po 189 995100.519 + 117 74 191 W 190 966531.000 + 116 75 191 Re 190 963123.437 + 115 76 191 Os 190 960928.159 + 114 77 191 Ir 190 960591.527 + 113 78 191 Pt 190 961676.363 + 112 79 191 Au 190 963716.455 + 111 80 191 Hg 190 967158.247 + 110 81 191 Tl 190 971784.096 + 109 82 191 Pb 190 978281.000 + 108 83 191 Bi 190 985786.975 + 107 84 191 Po 190 994558.488 + 106 85 191 At 191 004148.086 + 117 75 192 Re 191 966088.000 + 116 76 192 Os 191 961478.881 + 115 77 192 Ir 191 962602.485 + 114 78 192 Pt 191 961042.736 + 113 79 192 Au 191 964817.684 + 112 80 192 Hg 191 965634.182 + 111 81 192 Tl 191 972225.000 + 110 82 192 Pb 191 975785.115 + 109 83 192 Bi 191 985470.078 + 108 84 192 Po 191 991335.788 + 107 85 192 At 192 003141.034 + 118 75 193 Re 192 967545.000 + 117 76 193 Os 192 964149.753 + 116 77 193 Ir 192 962923.824 + 115 78 193 Pt 192 962984.616 + 114 79 193 Au 192 964138.447 + 113 80 193 Hg 192 966653.377 + 112 81 193 Tl 192 970501.997 + 111 82 193 Pb 192 976173.234 + 110 83 193 Bi 192 982947.223 + 109 84 193 Po 192 991062.403 + 108 85 193 At 192 999927.728 + 107 86 193 Rn 193 009707.964 + 118 76 194 Os 193 965179.477 + 117 77 194 Ir 193 965075.773 + 116 78 194 Pt 193 962683.527 + 115 79 194 Au 193 965419.062 + 114 80 194 Hg 193 965449.111 + 113 81 194 Tl 193 971081.411 + 112 82 194 Pb 193 974011.706 + 111 83 194 Bi 193 982792.362 + 110 84 194 Po 193 988186.015 + 109 85 194 At 193 999226.872 + 108 86 194 Rn 194 006144.424 + 119 76 195 Os 194 968318.000 + 118 77 195 Ir 194 965976.967 + 117 78 195 Pt 194 964794.353 + 116 79 195 Au 194 965037.851 + 115 80 195 Hg 194 966705.751 + 114 81 195 Tl 194 969774.096 + 113 82 195 Pb 194 974548.743 + 112 83 195 Bi 194 980648.762 + 111 84 195 Po 194 988130.617 + 110 85 195 At 194 996274.485 + 109 86 195 Rn 195 005421.699 + 120 76 196 Os 195 969643.277 + 119 77 196 Ir 195 968399.696 + 118 78 196 Pt 195 964954.675 + 117 79 196 Au 195 966571.221 + 116 80 196 Hg 195 965833.444 + 115 81 196 Tl 195 970481.192 + 114 82 196 Pb 195 972787.466 + 113 83 196 Bi 195 980666.509 + 112 84 196 Po 195 985536.094 + 111 85 196 At 195 995797.421 + 110 86 196 Rn 196 002115.945 + 120 77 197 Ir 196 969657.233 + 119 78 197 Pt 196 967343.053 + 118 79 197 Au 196 966570.114 + 117 80 197 Hg 196 967213.713 + 116 81 197 Tl 196 969573.986 + 115 82 197 Pb 196 973434.717 + 114 83 197 Bi 196 978864.929 + 113 84 197 Po 196 985659.607 + 112 85 197 At 196 993177.357 + 111 86 197 Rn 197 001621.430 + 110 87 197 Fr 197 011008.090 + 120 78 198 Pt 197 967896.734 + 119 79 198 Au 197 968243.724 + 118 80 198 Hg 197 966769.179 + 117 81 198 Tl 197 970446.673 + 116 82 198 Pb 197 972015.397 + 115 83 198 Bi 197 979206.000 + 114 84 198 Po 197 983388.672 + 113 85 198 At 197 992791.673 + 112 86 198 Rn 197 998679.156 + 111 87 198 Fr 198 010278.138 + 122 77 199 Ir 198 973807.115 + 121 78 199 Pt 198 970597.038 + 120 79 199 Au 198 968766.582 + 119 80 199 Hg 198 968280.989 + 118 81 199 Tl 198 969877.000 + 117 82 199 Pb 198 972912.542 + 116 83 199 Bi 198 977672.893 + 115 84 199 Po 198 983673.021 + 114 85 199 At 198 990527.719 + 113 86 199 Rn 198 998390.273 + 112 87 199 Fr 199 007269.389 + 122 78 200 Pt 199 971444.625 + 121 79 200 Au 199 970756.556 + 120 80 200 Hg 199 968326.934 + 119 81 200 Tl 199 970963.602 + 118 82 200 Pb 199 971818.332 + 117 83 200 Bi 199 978131.093 + 116 84 200 Po 199 981812.270 + 115 85 200 At 199 990351.100 + 114 86 200 Rn 199 995700.707 + 113 87 200 Fr 200 006583.507 + 123 78 201 Pt 200 974513.293 + 122 79 201 Au 200 971657.665 + 121 80 201 Hg 200 970303.038 + 120 81 201 Tl 200 970820.168 + 119 82 201 Pb 200 972870.425 + 118 83 201 Bi 200 977008.512 + 117 84 201 Po 200 982263.777 + 116 85 201 At 200 988417.061 + 115 86 201 Rn 200 995628.179 + 114 87 201 Fr 201 003852.496 + 113 88 201 Ra 201 012814.683 + 124 78 202 Pt 201 975639.000 + 123 79 202 Au 201 973856.000 + 122 80 202 Hg 201 970643.585 + 121 81 202 Tl 201 972109.089 + 120 82 202 Pb 201 972151.604 + 119 83 202 Bi 201 977733.100 + 118 84 202 Po 201 980738.881 + 117 85 202 At 201 988630.380 + 116 86 202 Rn 201 993263.902 + 115 87 202 Fr 202 003323.946 + 114 88 202 Ra 202 009742.264 + 124 79 203 Au 202 975154.498 + 123 80 203 Hg 202 972872.326 + 122 81 203 Tl 202 972344.022 + 121 82 203 Pb 202 973390.535 + 120 83 203 Bi 202 976892.145 + 119 84 203 Po 202 981415.995 + 118 85 203 At 202 986942.957 + 117 86 203 Rn 202 993393.732 + 116 87 203 Fr 203 000940.872 + 115 88 203 Ra 203 009298.745 + 124 80 204 Hg 203 973494.037 + 123 81 204 Tl 203 973863.337 + 122 82 204 Pb 203 973043.420 + 121 83 204 Bi 203 977835.717 + 120 84 204 Po 203 980309.863 + 119 85 204 At 203 987251.197 + 118 86 204 Rn 203 991443.644 + 117 87 204 Fr 204 000651.974 + 116 88 204 Ra 204 006502.228 + 125 80 205 Hg 204 976073.125 + 124 81 205 Tl 204 974427.237 + 123 82 205 Pb 204 974481.597 + 122 83 205 Bi 204 977386.323 + 121 84 205 Po 204 981190.004 + 120 85 205 At 204 986074.041 + 119 86 205 Rn 204 991723.204 + 118 87 205 Fr 204 998593.858 + 117 88 205 Ra 205 006268.415 + 116 89 205 Ac 205 015144.158 + 126 80 206 Hg 205 977513.756 + 125 81 206 Tl 205 976110.026 + 124 82 206 Pb 205 974465.124 + 123 83 206 Bi 205 978498.757 + 122 84 206 Po 205 980473.654 + 121 85 206 At 205 986656.148 + 120 86 206 Rn 205 990195.358 + 119 87 206 Fr 205 998666.211 + 118 88 206 Ra 206 003827.763 + 117 89 206 Ac 206 014470.787 + 127 80 207 Hg 206 982300.000 + 126 81 207 Tl 206 977418.586 + 125 82 207 Pb 206 975896.735 + 124 83 207 Bi 206 978470.471 + 123 84 207 Po 206 981593.252 + 122 85 207 At 206 985799.783 + 121 86 207 Rn 206 990730.200 + 120 87 207 Fr 206 996946.474 + 119 88 207 Ra 207 003805.161 + 118 89 207 Ac 207 011965.973 + 128 80 208 Hg 207 985759.000 + 127 81 208 Tl 207 982017.992 + 126 82 208 Pb 207 976651.918 + 125 83 208 Bi 207 979741.981 + 124 84 208 Po 207 981245.616 + 123 85 208 At 207 986613.042 + 122 86 208 Rn 207 989634.295 + 121 87 208 Fr 207 997138.018 + 120 88 208 Ra 208 001854.929 + 119 89 208 Ac 208 011544.073 + 118 90 208 Th 208 017910.722 + 128 81 209 Tl 208 985351.750 + 127 82 209 Pb 208 981089.898 + 126 83 209 Bi 208 980398.519 + 125 84 209 Po 208 982430.276 + 124 85 209 At 208 986169.944 + 123 86 209 Rn 208 990401.388 + 122 87 209 Fr 208 995953.197 + 121 88 209 Ra 209 001994.879 + 120 89 209 Ac 209 009494.220 + 129 81 210 Tl 209 990072.970 + 128 82 210 Pb 209 984188.301 + 127 83 210 Bi 209 984120.156 + 126 84 210 Po 209 982873.601 + 125 85 210 At 209 987147.338 + 124 86 210 Rn 209 989688.854 + 123 87 210 Fr 209 996421.657 + 122 88 210 Ra 210 000475.356 + 121 89 210 Ac 210 009436.130 + 120 90 210 Th 210 015093.437 + 130 81 211 Tl 210 993475.000 + 129 82 211 Pb 210 988735.356 + 128 83 211 Bi 210 987268.698 + 127 84 211 Po 210 986653.085 + 126 85 211 At 210 987496.147 + 125 86 211 Rn 210 990600.686 + 124 87 211 Fr 210 995555.259 + 123 88 211 Ra 211 000893.213 + 122 89 211 Ac 211 007731.894 + 121 90 211 Th 211 014933.183 + 130 82 212 Pb 211 991895.975 + 129 83 212 Bi 211 991285.016 + 128 84 212 Po 211 988867.896 + 127 85 212 At 211 990737.223 + 126 86 212 Rn 211 990703.528 + 125 87 212 Fr 211 996225.453 + 124 88 212 Ra 211 999786.399 + 123 89 212 Ac 212 007812.501 + 122 90 212 Th 212 013001.487 + 121 91 212 Pa 212 023181.425 + 132 81 213 Tl 213 001915.000 + 131 82 213 Pb 212 996560.867 + 130 83 213 Bi 212 994383.608 + 129 84 213 Po 212 992857.083 + 128 85 213 At 212 992936.514 + 127 86 213 Rn 212 993885.064 + 126 87 213 Fr 212 996185.861 + 125 88 213 Ra 213 000370.970 + 124 89 213 Ac 213 006607.333 + 123 90 213 Th 213 013011.447 + 122 91 213 Pa 213 021108.697 + 132 82 214 Pb 213 999803.788 + 131 83 214 Bi 213 998710.938 + 130 84 214 Po 213 995201.208 + 129 85 214 At 213 996371.601 + 128 86 214 Rn 213 995362.566 + 127 87 214 Fr 213 998970.785 + 126 88 214 Ra 214 000099.554 + 125 89 214 Ac 214 006917.762 + 124 90 214 Th 214 011481.431 + 123 91 214 Pa 214 020918.561 + 133 82 215 Pb 215 004661.590 + 132 83 215 Bi 215 001749.149 + 131 84 215 Po 214 999418.454 + 130 85 215 At 214 998651.890 + 129 86 215 Rn 214 998745.498 + 128 87 215 Fr 215 000341.456 + 127 88 215 Ra 215 002720.080 + 126 89 215 Ac 215 006474.132 + 125 90 215 Th 215 011724.805 + 124 91 215 Pa 215 019177.728 + 123 92 215 U 215 026756.035 + 133 83 216 Bi 216 006305.989 + 132 84 216 Po 216 001913.506 + 131 85 216 At 216 002422.631 + 130 86 216 Rn 216 000271.464 + 129 87 216 Fr 216 003189.445 + 128 88 216 Ra 216 003533.117 + 127 89 216 Ac 216 008743.367 + 126 90 216 Th 216 011055.714 + 125 91 216 Pa 216 019108.242 + 124 92 216 U 216 024762.747 + 134 83 217 Bi 217 009372.000 + 133 84 217 Po 217 006316.216 + 132 85 217 At 217 004717.835 + 131 86 217 Rn 217 003927.562 + 130 87 217 Fr 217 004631.902 + 129 88 217 Ra 217 006322.806 + 128 89 217 Ac 217 009343.777 + 127 90 217 Th 217 013103.444 + 126 91 217 Pa 217 018323.692 + 135 83 218 Bi 218 014188.000 + 134 84 218 Po 218 008971.502 + 133 85 218 At 218 008693.735 + 132 86 218 Rn 218 005601.052 + 131 87 218 Fr 218 007578.274 + 130 88 218 Ra 218 007140.325 + 129 89 218 Ac 218 011641.093 + 128 90 218 Th 218 013276.242 + 127 91 218 Pa 218 020057.853 + 126 92 218 U 218 023504.829 + 135 84 219 Po 219 013614.000 + 134 85 219 At 219 011160.647 + 133 86 219 Rn 219 009478.753 + 132 87 219 Fr 219 009251.553 + 131 88 219 Ra 219 010085.176 + 130 89 219 Ac 219 012420.348 + 129 90 219 Th 219 015535.677 + 128 91 219 Pa 219 019903.650 + 127 92 219 U 219 024999.161 + 126 93 219 Np 219 031623.021 + 136 84 220 Po 220 016386.000 + 135 85 220 At 220 015433.000 + 134 86 220 Rn 220 011392.534 + 133 87 220 Fr 220 012326.778 + 132 88 220 Ra 220 011025.562 + 131 89 220 Ac 220 014754.450 + 130 90 220 Th 220 015747.926 + 137 84 221 Po 221 021228.000 + 136 85 221 At 221 018017.000 + 135 86 221 Rn 221 015535.709 + 134 87 221 Fr 221 014253.757 + 133 88 221 Ra 221 013917.224 + 132 89 221 Ac 221 015591.199 + 131 90 221 Th 221 018186.236 + 130 91 221 Pa 221 021874.846 + 129 92 221 U 221 026323.299 + 138 84 222 Po 222 024140.000 + 137 85 222 At 222 022494.000 + 136 86 222 Rn 222 017576.286 + 135 87 222 Fr 222 017582.620 + 134 88 222 Ra 222 015373.355 + 133 89 222 Ac 222 017843.887 + 132 90 222 Th 222 018468.300 + 130 92 222 U 222 026057.953 + 138 85 223 At 223 025151.000 + 137 86 223 Rn 223 021889.285 + 136 87 223 Fr 223 019734.313 + 135 88 223 Ra 223 018500.719 + 134 89 223 Ac 223 019136.872 + 133 90 223 Th 223 020811.546 + 132 91 223 Pa 223 023962.232 + 131 92 223 U 223 027737.168 + 139 85 224 At 224 029749.000 + 138 86 224 Rn 224 024095.804 + 137 87 224 Fr 224 023348.100 + 136 88 224 Ra 224 020210.453 + 135 89 224 Ac 224 021722.239 + 134 90 224 Th 224 021464.157 + 133 91 224 Pa 224 025617.210 + 132 92 224 U 224 027613.974 + 139 86 225 Rn 225 028485.574 + 138 87 225 Fr 225 025572.478 + 137 88 225 Ra 225 023610.574 + 136 89 225 Ac 225 023228.647 + 135 90 225 Th 225 023950.907 + 134 91 225 Pa 225 026130.844 + 133 92 225 U 225 029393.555 + 132 93 225 Np 225 033910.797 + 140 86 226 Rn 226 030861.382 + 139 87 226 Fr 226 029544.515 + 138 88 226 Ra 226 025408.455 + 137 89 226 Ac 226 026097.069 + 136 90 226 Th 226 024903.686 + 135 91 226 Pa 226 027947.872 + 134 92 226 U 226 029338.749 + 141 86 227 Rn 227 035304.396 + 140 87 227 Fr 227 031865.417 + 139 88 227 Ra 227 029176.474 + 138 89 227 Ac 227 027750.666 + 137 90 227 Th 227 027702.618 + 136 91 227 Pa 227 028804.477 + 135 92 227 U 227 031181.587 + 134 93 227 Np 227 034956.832 + 142 86 228 Rn 228 037835.418 + 141 87 228 Fr 228 035839.437 + 140 88 228 Ra 228 031068.657 + 139 89 228 Ac 228 031019.767 + 138 90 228 Th 228 028739.835 + 137 91 228 Pa 228 031050.748 + 136 92 228 U 228 031371.351 + 135 93 228 Np 228 036066.462 + 134 94 228 Pu 228 038741.387 + 143 86 229 Rn 229 042257.276 + 142 87 229 Fr 229 038291.455 + 141 88 229 Ra 229 034956.707 + 140 89 229 Ac 229 032947.000 + 139 90 229 Th 229 031761.431 + 138 91 229 Pa 229 032095.652 + 137 92 229 U 229 033505.909 + 136 93 229 Np 229 036263.974 + 135 94 229 Pu 229 040145.819 + 134 95 229 Am 229 045249.909 + 143 87 230 Fr 230 042390.791 + 142 88 230 Ra 230 037054.780 + 141 89 230 Ac 230 036327.000 + 140 90 230 Th 230 033132.358 + 139 91 230 Pa 230 034539.789 + 138 92 230 U 230 033940.102 + 137 93 230 Np 230 037827.716 + 136 94 230 Pu 230 039650.703 + 144 87 231 Fr 231 045175.357 + 143 88 231 Ra 231 041027.086 + 142 89 231 Ac 231 038393.000 + 141 90 231 Th 231 036302.853 + 140 91 231 Pa 231 035882.575 + 139 92 231 U 231 036292.252 + 138 93 231 Np 231 038244.490 + 137 94 231 Pu 231 041126.410 + 145 87 232 Fr 232 049461.224 + 144 88 232 Ra 232 043475.270 + 143 89 232 Ac 232 042034.000 + 142 90 232 Th 232 038053.689 + 141 91 232 Pa 232 038590.300 + 140 92 232 U 232 037154.860 + 138 94 232 Pu 232 041184.526 + 146 87 233 Fr 233 052517.838 + 145 88 233 Ra 233 047594.573 + 144 89 233 Ac 233 044346.000 + 143 90 233 Th 233 041580.208 + 142 91 233 Pa 233 040246.605 + 141 92 233 U 233 039634.367 + 140 93 233 Np 233 040739.489 + 139 94 233 Pu 233 042997.345 + 137 96 233 Cm 233 050772.206 + 146 88 234 Ra 234 050382.104 + 145 89 234 Ac 234 048139.000 + 144 90 234 Th 234 043599.860 + 143 91 234 Pa 234 043305.615 + 142 92 234 U 234 040950.370 + 141 93 234 Np 234 042893.320 + 140 94 234 Pu 234 043317.478 + 138 96 234 Cm 234 050160.959 + 146 89 235 Ac 235 050840.000 + 145 90 235 Th 235 047255.000 + 144 91 235 Pa 235 045399.000 + 143 92 235 U 235 043928.190 + 142 93 235 Np 235 044061.591 + 141 94 235 Pu 235 045284.682 + 140 95 235 Am 235 047907.371 + 147 89 236 Ac 236 054988.000 + 146 90 236 Th 236 049657.000 + 145 91 236 Pa 236 048668.000 + 144 92 236 U 236 045566.201 + 143 93 236 Np 236 046568.392 + 142 94 236 Pu 236 046056.756 + 140 96 236 Cm 236 051374.506 + 147 90 237 Th 237 053629.000 + 146 91 237 Pa 237 051023.000 + 145 92 237 U 237 048728.380 + 144 93 237 Np 237 048171.710 + 143 94 237 Pu 237 048407.957 + 141 96 237 Cm 237 052868.923 + 139 98 237 Cf 237 062199.993 + 147 91 238 Pa 238 054637.000 + 146 92 238 U 238 050786.996 + 145 93 238 Np 238 050944.671 + 144 94 238 Pu 238 049558.250 + 143 95 238 Am 238 051982.607 + 142 96 238 Cm 238 053081.595 + 147 92 239 U 239 054292.048 + 146 93 239 Np 239 052937.599 + 145 94 239 Pu 239 052161.669 + 144 95 239 Am 239 053022.803 + 143 96 239 Cm 239 054908.593 + 148 92 240 U 240 056592.425 + 147 93 240 Np 240 056163.830 + 146 94 240 Pu 240 053811.812 + 145 95 240 Am 240 055298.444 + 144 96 240 Cm 240 055528.329 + 142 98 240 Cf 240 062255.842 + 148 93 241 Np 241 058250.697 + 147 94 241 Pu 241 056849.722 + 146 95 241 Am 241 056827.413 + 145 96 241 Cm 241 057651.288 + 149 93 242 Np 242 061639.615 + 148 94 242 Pu 242 058741.045 + 147 95 242 Am 242 059547.428 + 146 96 242 Cm 242 058834.263 + 144 98 242 Cf 242 063754.533 + 149 94 243 Pu 243 062002.119 + 148 95 243 Am 243 061379.940 + 147 96 243 Cm 243 061387.403 + 146 97 243 Bk 243 063005.980 + 150 94 244 Pu 244 064204.415 + 149 95 244 Am 244 064282.964 + 148 96 244 Cm 244 062750.694 + 147 97 244 Bk 244 065179.039 + 146 98 244 Cf 244 065999.543 + 151 94 245 Pu 245 067824.568 + 150 95 245 Am 245 066452.890 + 149 96 245 Cm 245 065491.113 + 148 97 245 Bk 245 066359.885 + 147 98 245 Cf 245 068046.825 + 152 94 246 Pu 246 070204.209 + 150 96 246 Cm 246 067222.082 + 149 97 246 Bk 246 068671.367 + 148 98 246 Cf 246 068803.762 + 146 100 246 Fm 246 075350.815 + 151 96 247 Cm 247 070352.726 + 150 97 247 Bk 247 070305.940 + 149 98 247 Cf 247 070965.462 + 148 99 247 Es 247 073621.932 + 152 96 248 Cm 248 072349.101 + 150 98 248 Cf 248 072182.978 + 148 100 248 Fm 248 077185.528 + 153 96 249 Cm 249 075954.006 + 152 97 249 Bk 249 074983.182 + 151 98 249 Cf 249 074850.491 + 149 100 249 Fm 249 078926.098 + 154 96 250 Cm 250 078357.556 + 153 97 250 Bk 250 078315.027 + 152 98 250 Cf 250 076404.561 + 150 100 250 Fm 250 079519.828 + 155 96 251 Cm 251 082285.036 + 154 97 251 Bk 251 080760.603 + 153 98 251 Cf 251 079587.219 + 152 99 251 Es 251 079992.224 + 151 100 251 Fm 251 081539.889 + 150 101 251 Md 251 084774.291 + 154 98 252 Cf 252 081626.523 + 153 99 252 Es 252 082979.189 + 152 100 252 Fm 252 082464.972 + 150 102 252 No 252 088966.141 + 155 98 253 Cf 253 085133.738 + 154 99 253 Es 253 084821.305 + 153 100 253 Fm 253 085181.160 + 151 102 253 No 253 090562.831 + 156 98 254 Cf 254 087323.590 + 155 99 254 Es 254 088020.527 + 154 100 254 Fm 254 086852.726 + 152 102 254 No 254 090954.259 + 156 99 255 Es 255 090273.553 + 155 100 255 Fm 255 089962.633 + 154 101 255 Md 255 091082.787 + 153 102 255 No 255 093191.404 + 152 103 255 Lr 255 096562.404 + 156 100 256 Fm 256 091773.878 + 154 102 256 No 256 094280.866 + 153 103 256 Lr 256 098494.029 + 152 104 256 Rf 256 101151.535 + 157 100 257 Fm 257 095105.317 + 156 101 257 Md 257 095537.977 + 155 102 257 No 257 096884.419 + 153 104 257 Rf 257 102916.848 + 157 101 258 Md 258 098429.825 + 154 104 258 Rf 258 103426.362 + 157 102 259 No 259 100997.503 + 154 105 259 Db 259 109491.865 + 154 106 260 Sg 260 114383.508 + 157 104 261 Rf 261 108769.990 + 155 106 261 Sg 261 115948.188 + 156 106 262 Sg 262 116335.446 + 156 108 264 Hs 264 128356.405 + 157 108 265 Hs 265 129791.799 + 158 108 266 Hs 266 130045.252 + 159 110 269 Ds 269 144751.021 + 160 110 270 Ds 270 144583.090 + diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt new file mode 100644 index 0000000..a62d3c9 --- /dev/null +++ b/src/CMakeLists.txt @@ -0,0 +1,17 @@ +add_executable(PunchTable) +target_include_directories(PunchTable PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) + +target_sources(PunchTable PRIVATE + CubicSpline.h + CubicSpline.cpp + MassLookup.h + MassLookup.cpp + PunchTable.h + PunchTable.cpp + GenerateTable.h + GenerateTable.cpp +) + +target_link_libraries(PunchTable catima) + +set_target_properties(PunchTable PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PUNCHTABLE_BINARY_DIR}) \ No newline at end of file diff --git a/src/CubicSpline.cpp b/src/CubicSpline.cpp new file mode 100644 index 0000000..86c585f --- /dev/null +++ b/src/CubicSpline.cpp @@ -0,0 +1,235 @@ +/* +CubicSpline.cpp +Class for generating cubic splines of data in tables or held in memory. Cubic splines are a form of interpolation, +somewhat more advanced than linear interpolation, but not so complicated that it significantly slows down a calculation. +For more information see Wikipedia or Num. Rec. in C. + +Gordon M. May 2021 +*/ +#include "CubicSpline.h" +#include +#include +#include + +namespace PunchTable { + + CubicSpline::CubicSpline() : + m_validFlag(false) + { + } + + CubicSpline::CubicSpline(const std::string& filename) : + m_validFlag(false) + { + ReadFile(filename); + } + + CubicSpline::CubicSpline(const std::vector& x, const std::vector& y) : + m_validFlag(false) + { + ReadData(x, y); + } + + CubicSpline::~CubicSpline() {} + + /* + Expected file format is a naked (no header) single space separated table: + x y\n + */ + void CubicSpline::ReadFile(const std::string& filename) + { + std::ifstream input(filename); + if(!input.is_open()) { + std::cerr<<"Unable to open input data at CubicSpline::ReadFile from filename: "<>x) + { + input>>y; + m_dataX.push_back(x); + m_dataY.push_back(y); + } + + if(m_dataX.size() != m_dataY.size()) + { + std::cerr<<"Error in CubicSpline::ReadFile! Number of x points not equal to number of y points!"<=0; i--) + k[i] = b[i] - a[i][i+1]*k[i+1]; + + //Fill the spline data + for(size_t i=0; i= spline.x1 && x <= spline.x2) + { + s = spline; + break; + } + else if (i == (m_splines.size() -1)) + { + //std::cerr<<"Error at CubicSpline::Evaluate! Input x value: "<= spline.x1 && xval <= spline.x2) + { + s = spline; + break; + } + else if (i == (m_splines.size() -1)) + { + return 0.0; + } + } + + double t = (xval-s.x1)/(s.x2-s.x1); + double a = s.k1*(s.x2-s.x1)-(s.y2-s.y1); + double b = -s.k2*(s.x2-s.x1)+(s.y2-s.y1); + return (1.0-t)*s.y1+t*s.y2+t*(1.0-t)*((1.0-t)*a+t*b); + } + +} \ No newline at end of file diff --git a/src/CubicSpline.h b/src/CubicSpline.h new file mode 100644 index 0000000..d61ef91 --- /dev/null +++ b/src/CubicSpline.h @@ -0,0 +1,55 @@ +/* +CubicSpline.h +Class for generating cubic splines of data in tables or held in memory. Cubic splines are a form of interpolation, +somewhat more advanced than linear interpolation, but not so complicated that it significantly slows down a calculation. +For more information see Wikipedia or Num. Rec. in C. + +Gordon M. May 2021 +*/ +#ifndef CUBICSPLINE_H +#define CUBICSPLINE_H + +#include +#include + +namespace PunchTable { + + //struct holding final spline info + struct Spline + { + double y1=0, y2=0; + double x1=0, x2=0; + double k1=0, k2=0; + }; + + class CubicSpline + { + public: + CubicSpline(); + CubicSpline(const std::string& filename); + CubicSpline(const std::vector& x, const std::vector& y); + ~CubicSpline(); + void ReadFile(const std::string& filename); + inline void ReadData(const std::vector& x, const std::vector& y) + { + m_dataX = x; + m_dataY = y; + m_validFlag=true; + MakeSplines(); + } + bool IsValid() { return m_validFlag; } + double Evaluate(double x); + double EvaluateROOT(double* x, double* p); //for plotting as ROOT function + + private: + void MakeSplines(); + + std::vector m_dataX; + std::vector m_dataY; + std::vector m_splines; + + bool m_validFlag; + }; + +} +#endif \ No newline at end of file diff --git a/src/GenerateTable.cpp b/src/GenerateTable.cpp new file mode 100644 index 0000000..5dcf606 --- /dev/null +++ b/src/GenerateTable.cpp @@ -0,0 +1,11 @@ +#include "GenerateTable.h" +#include +#include + +namespace PunchTable { + + void GenerateTable(const TableParameters& params) + { + + } +} \ No newline at end of file diff --git a/src/GenerateTable.h b/src/GenerateTable.h new file mode 100644 index 0000000..c4590db --- /dev/null +++ b/src/GenerateTable.h @@ -0,0 +1,29 @@ +#ifndef GENERATE_TABLE_H +#define GENERATE_TABLE_H + +#include +#include + +namespace PunchTable { + + struct TableParameters + { + double minKE; + double maxKE; + double stepKE; + double minTheta; + double maxTheta; + double stepTheta; + int projectileZ; + int projectileA; + std::vector> targetZ; + std::vector> targetA; + std::vector> targetS; + double targetThickness; + std::string filename; + }; + + void GenerateTable(const TableParameters& params); +} + +#endif \ No newline at end of file diff --git a/src/MassLookup.cpp b/src/MassLookup.cpp new file mode 100644 index 0000000..e9732bf --- /dev/null +++ b/src/MassLookup.cpp @@ -0,0 +1,73 @@ +/* + +MassLookup.h +Generates a map for isotopic masses using AMDC data; subtracts away +electron mass from the atomic mass by default. Creates a static global instance +of this map (MASS) for use throughout code it is included into. + +Written by G.W. McCann Aug. 2020 + +*/ +#include "MassLookup.h" +#include + +namespace PunchTable { + + MassLookup* MassLookup::s_instance = new MassLookup(); + + MassLookup::MassLookup() + { + std::ifstream massfile("etc/mass.txt"); + if(massfile.is_open()) + { + std::string junk, A, element; + int Z; + double atomicMassBig, atomicMassSmall, isotopicMass; + getline(massfile,junk); + getline(massfile,junk); + while(massfile>>junk) + { + massfile>>Z>>A>>element>>atomicMassBig>>atomicMassSmall; + isotopicMass = (atomicMassBig + atomicMassSmall*1e-6 - Z*electron_mass)*u_to_mev; + std::string key = "("+std::to_string(Z)+","+A+")"; + massTable[key] = isotopicMass; + elementTable[Z] = element; + } + } + else + { + std::cerr<<"ERR -- Unable to open mass file, check etc directory"<second; + } + + //returns element symbol + std::string MassLookup::FindSymbol(int Z, int A) + { + auto data = elementTable.find(Z); + if(data == elementTable.end()) + { + std::cerr<<"WARN -- Unable to find symbol of (Z,A)=("<second; + return fullsymbol; + } + +} \ No newline at end of file diff --git a/src/MassLookup.h b/src/MassLookup.h new file mode 100644 index 0000000..0de0be5 --- /dev/null +++ b/src/MassLookup.h @@ -0,0 +1,45 @@ +/* + +MassLookup.h +Generates a map for isotopic masses using AMDC data; subtracts away +electron mass from the atomic mass by default. Creates a static global instance +of this map (MASS) for use throughout code it is included into. + +Written by G.W. McCann Aug. 2020 + +Converted to true singleton to simplify usage -- Aug. 2021 GWM +*/ +#ifndef MASS_LOOKUP_H +#define MASS_LOOKUP_H + +#include +#include +#include + +namespace PunchTable { + + class MassLookup + { + public: + MassLookup(); + ~MassLookup(); + double FindMass(int Z, int A); + double FindMassU(int Z, int A) { return FindMass(Z, A)/u_to_mev; } + std::string FindSymbol(int Z, int A); + + inline static MassLookup& GetInstance() { return *s_instance; } + + private: + static MassLookup* s_instance; + std::unordered_map massTable; + std::unordered_map elementTable; + + //constants + static constexpr double u_to_mev = 931.4940954; + static constexpr double electron_mass = 0.000548579909; + + }; + +} + +#endif diff --git a/src/PunchTable.cpp b/src/PunchTable.cpp new file mode 100644 index 0000000..960357a --- /dev/null +++ b/src/PunchTable.cpp @@ -0,0 +1,109 @@ +#include "PunchTable.h" +#include +#include + +namespace PunchTable { + + PunchTable::PunchTable() : + m_validFlag(false) + { + } + + PunchTable::PunchTable(const std::string& filename) : + m_validFlag(false) + { + ReadFile(filename); + } + + PunchTable::~PunchTable() {} + + void PunchTable::ReadFile(const std::string& filename) + { + std::ifstream input(filename); + if(!input.is_open()) + { + std::cerr<<"Unable to open table file named "< energyIn, energyDep; + + std::getline(input, junk); + input>>junk>>thickness; + input>>junk>>m_thetaMin>>junk>>m_thetaMax>>junk>>m_thetaStep; + std::getline(input, junk); + std::getline(input, junk); + std::getline(input, junk); + + while(input>>junk) + { + if(junk == "begin_theta") + { + energyIn.clear(); + energyDep.clear(); + input>>theta; + while(input>>junk) + { + if(junk == "end_theta") + break; + energyDep.push_back(std::stod(junk)); + input>>value; + energyIn.push_back(value); + } + + if(!energyDep.empty()) + m_splines.emplace_back(energyDep, energyIn); + else + m_splines.emplace_back(); + } + else + { + std::cerr<<"Unexpected expression found when reading punch table: "< m_thetaMax) + { + std::cerr<<"Theta incident outside of range of calculated values for PunchTable::GetInitialKineticEnergy"< +#include +#include + +namespace PunchTable { + + class PunchTable { + public: + PunchTable(); + PunchTable(const std::string& filename); + ~PunchTable(); + void ReadFile(const std::string& filename); + double GetInitialKineticEnergy(double theta_incident, double e_deposited); + inline bool IsValid() const { return m_validFlag; } + + private: + std::vector m_splines; + double m_thetaStep, m_thetaMin, m_thetaMax; + + bool m_validFlag; + + static constexpr double s_deg2rad = M_PI/180.0; + }; + +} +#endif \ No newline at end of file diff --git a/src/main.cpp b/src/main.cpp new file mode 100644 index 0000000..d1a89a9 --- /dev/null +++ b/src/main.cpp @@ -0,0 +1,111 @@ +#include "MassLookup.h" +#include "PunchTable.h" +#include +#include +#include +#include +#include +#include + +int main(int argc, char** argv) +{ + + std::string options = ""; + if(argc == 2) + { + options = argv[1]; + } + + int Zp = 1; + int Ap = 1; + + float keStep = 0.01; + float thickness = 500.0 * 1e-4 * 2.3216 * 1e6; //1000 um thick times density of Si-> ug/cm^2 + float deg2rad = M_PI/180.0; + float thetaStep = 0.1*deg2rad; + float precision = 1.0e-6; + + std::vector ZT(1), AT(1), ST(1); + ZT[0] = 14; + AT[0] = 28; + ST[0] = 1; + + EnergyLoss energyLoss; + energyLoss.SetTargetComponents(ZT, AT, ST); + + float keMin = 8.23f; + float keMax = 25.0f; + + float thetaMin = 0.0f*deg2rad; + float thetaMax = 85.0f*deg2rad; + + int nebins = int((keMax-keMin)/keStep); + int ntbins = int ((thetaMax-thetaMin)/thetaStep); + + if(options == "--make-table" || options == "") + { + + std::cout<<"nebins: "<> energy_dep(ntbins); + std::vector> energy_in(ntbins); + + for(int i=0; i precision) + { + energy_dep[i].push_back(energy); + energy_in[i].push_back(keCur); + } + } + } + std::cout<FindSymbol(ZT[i], AT[i]); + output<FindSymbol(Zp, Ap)<<" with kinetic energy "<