From b11712790be16bf96a509d4f19af6e3f92922dc9 Mon Sep 17 00:00:00 2001 From: Steven Andrews Date: Sun, 5 Feb 2023 10:05:46 -0800 Subject: [PATCH] version 2.71 --- CHANGELOG.md | 7 + CMakeLists.txt | 2 +- docs/Smoldyn/SmoldynCodeDoc.pdf | Bin 839498 -> 876330 bytes docs/Smoldyn/SmoldynCodeDoc.tex | 7 +- docs/Smoldyn/SmoldynManual.pdf | Bin 1824825 -> 1825393 bytes docs/Smoldyn/SmoldynManual.tex | 4 +- .../output_271/translatemol2_271_out.txt | 150 ++++++++++++++++++ examples/S95_regression/regression.py | 2 +- windows/install.bat | 2 +- 9 files changed, 166 insertions(+), 8 deletions(-) create mode 100644 examples/S95_regression/output_271/translatemol2_271_out.txt diff --git a/CHANGELOG.md b/CHANGELOG.md index a3016ef8..c0435367 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,12 @@ ## Changelog +### 2.71 (2/5/23) + +- Fixed bug in which graphics were called by Python API even when turned off. +- Made it an error for command timing to have non-integer values for integer commands. +- Improved command timing so that command execution order is consistent. +- Added translatemol command and improved longrangeforce command. + ### 2.70.1 (12/28/22) - Added wheels for Python 3.11 (Windows, OSX). diff --git a/CMakeLists.txt b/CMakeLists.txt index 769efe92..8b0e9d44 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -30,7 +30,7 @@ if(NOT SMOLDYN_VERSION) else() # minute-ly release. string(TIMESTAMP STAMP "%Y%m%d%H%M") - set(SMOLDYN_VERSION "2.71.dev${STAMP}") + set(SMOLDYN_VERSION "2.72.dev${STAMP}") endif() endif() endif() diff --git a/docs/Smoldyn/SmoldynCodeDoc.pdf b/docs/Smoldyn/SmoldynCodeDoc.pdf index d09e286b312779434df433a4acda19e5c3ac7035..47b32871f110a00bad877c318fef35828367b756 100644 GIT binary patch delta 53879 zcmZ6ybzD?Y7d6ZbLw9$#bPp|EN_Tg6NHer_!=Qwe(j7xfBP|UQ64Ia`DF}R{KJWWH z-~0P9bMHR;oHO?y)?It8eZ~s-D|-ZSm^9=RIC;4Q(V0Ha4=tlZ`wmeF8yK(w8F2st zsF@f*E~7Yvuqh9~iv(@50uVNBBL4ybd4-^KcBlkRrx@SSfxN;Q(k}>_eh^=wK(FY5 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zUL@~)RadK!Jo1pPRwH>V^#*IW5fw=O`WM=g=|m+_MN|_rh#F!hQA^Yj^+-N{a{Qd0 dD{%e~2;yvzmjPc59Sk!!F*Gy^B_%~qMhcJt^fv$i diff --git a/docs/Smoldyn/SmoldynCodeDoc.tex b/docs/Smoldyn/SmoldynCodeDoc.tex index c240f80a..220d6056 100644 --- a/docs/Smoldyn/SmoldynCodeDoc.tex +++ b/docs/Smoldyn/SmoldynCodeDoc.tex @@ -5,6 +5,7 @@ \usepackage{longtable} \usepackage{listings} \usepackage{url} +\usepackage{hyperref} % settings for listings package \lstset{ @@ -42,8 +43,8 @@ \pretolerance=10000 \title{Smoldyn Code Documentation} -\subtitle{Version 2.70} -\date{\copyright October, 2022} +\subtitle{Version 2.71} +\date{\copyright February, 2023} \author{Steve Andrews} \maketitle @@ -6914,7 +6915,7 @@ \subsection*{Modifications for version 2.69 (released 10/17/22)} \subsection*{Modifications for version 2.70 (released 10/24/22)} \item Fixed bug, or maybe just a lack of feature availablility, in libsmoldyn and Python interface in which reaction probabilities could not be set for bimolecular reactions. -\subsection*{Modifications for version 2.71 (not released yet)} +\subsection*{Modifications for version 2.71 (released 2/5/23)} \item Fixed bug in which graphics were being called from Python API even when they were turned off. 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October, 2022} +\subtitle{Version 2.71} +\date{\copyright February, 2023} \author{Steve Andrews} \maketitle diff --git a/examples/S95_regression/output_271/translatemol2_271_out.txt b/examples/S95_regression/output_271/translatemol2_271_out.txt new file mode 100644 index 00000000..cd9f4f40 --- /dev/null +++ b/examples/S95_regression/output_271/translatemol2_271_out.txt @@ -0,0 +1,150 @@ +green(solution) 6.36927 4.88381 130 +green(solution) -5.54831 -5.58557 129 +green(solution) -6.80083 -9.51992 128 +green(solution) 7.29012 -4.28228 127 +green(solution) 2.76755 1.58798 126 +green(solution) -6.58914 8.0888 125 +green(solution) -7.70392 7.07407 124 +green(solution) 5.62575 7.557 123 +green(solution) -8.19091 8.34947 122 +green(solution) 3.53035 -1.71018 121 +green(solution) 0.205106 -6.41419 120 +green(solution) 5.1836 9.05534 119 +green(solution) -1.66793 -3.4011 118 +green(solution) -0.752722 4.4356 117 +green(solution) 2.49937 -4.13445 116 +green(solution) 6.6105 -4.75968 115 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+red(solution) 9.53567 -8.45396 87 +red(solution) 9.68342 4.80528 86 +red(solution) -2.63408 -6.46895 85 +red(solution) -8.59877 -8.06804 84 +red(solution) -1.9492 -6.77991 83 +red(solution) 2.76006 -7.3255 82 +red(solution) -3.48959 -6.42944 81 +red(solution) 9.91893 4.15923 80 +red(solution) -3.0515 7.73588 79 +red(solution) 4.54955 9.12548 78 +red(solution) -2.62987 9.81552 77 +red(solution) 7.71739 -9.14287 76 +red(solution) -0.0514911 -7.92035 75 +red(solution) -6.6393 0.474711 74 +red(solution) -7.13125 -5.79776 73 +red(solution) 4.77999 -9.66345 72 +red(solution) -0.843374 -8.618 71 +red(solution) 0.670288 2.31796 70 +red(solution) 3.96555 8.66635 69 +red(solution) 3.65776 8.0209 68 +red(solution) -7.31127 8.64865 67 +red(solution) -2.42995 -9.6704 66 +red(solution) -2.54454 7.0154 65 +red(solution) 2.59601 -0.412386 64 +red(solution) 0.170999 -2.55824 63 +red(solution) 5.3957 -5.63091 62 +red(solution) -2.02225 9.53135 61 +red(solution) 8.90376 -9.85604 60 +red(solution) -9.48143 -2.44303 59 +red(solution) 9.74582 6.25471 58 +red(solution) 1.4411 -0.575998 57 +red(solution) 5.98174 -5.22287 56 +red(solution) 8.74285 1.44378 55 +red(solution) 4.13375 -5.03113 54 +red(solution) -1.42968 7.27494 53 +red(solution) 6.80179 9.32372 52 +red(solution) -9.33931 2.02204 51 +red(solution) 5.60769 -3.69736 50 +red(solution) 5.55887 -4.6927 49 +red(solution) -6.11913 -3.07181 48 +red(solution) -8.54714 9.77082 47 +red(solution) 0.43363 -2.80925 46 +red(solution) -0.325909 1.08691 45 +red(solution) -8.07573 9.13049 44 +red(solution) -8.236 8.36403 43 +red(solution) -7.25479 -5.49926 42 +red(solution) -8.80352 -1.97547 41 +red(solution) 6.96842 -2.21963 40 +red(solution) 4.29765 -1.76937 39 +red(solution) 0.801048 0.15157 38 +red(solution) -9.91058 -7.74192 37 +red(solution) -1.91629 -1.74037 36 +red(solution) 4.1573 -1.79855 35 +red(solution) 0.931864 1.94468 34 +red(solution) 3.13505 1.01013 33 +red(solution) -0.447059 -9.19843 32 +red(solution) -2.97644 -6.68969 31 +red(solution) 2.97229 3.18997 30 +red(solution) 9.48685 3.08834 29 +red(solution) 1.17991 -1.46799 28 +red(solution) -9.38076 7.68579 27 +red(solution) -3.48136 9.93037 26 +red(solution) -8.41094 4.43205 25 +red(solution) -7.0303 -9.27663 24 +red(solution) 6.12687 3.08747 23 +red(solution) 3.23564 -9.49375 22 +red(solution) 8.84954 -7.50797 21 +red(solution) 8.8176 -4.8345 20 +red(solution) -8.78184 -1.81941 19 +red(solution) -7.2767 -1.2377 18 +red(solution) 4.12935 1.81432 17 +red(solution) 9.37651 -5.94987 16 +red(solution) 6.6035 9.89225 15 +red(solution) 0.290353 8.01877 14 +red(solution) -6.06933 0.041478 13 +red(solution) 3.91502 -1.66876 12 +red(solution) 4.24178 -1.8363 11 +red(solution) 0.552954 -6.13204 10 +red(solution) -2.94475 -8.72921 9 +red(solution) -3.99379 -5.05112 8 +red(solution) 6.36355 -4.04872 7 +red(solution) 7.44892 5.46491 6 +red(solution) -7.76976 -3.2938 5 +red(solution) 8.13389 7.08972 4 +red(solution) 0.116252 -3.04084 3 +red(solution) 5.3304 -9.59334 2 +red(solution) -1.43809 -3.33312 1 +blue(up) 5.88991 -1.79111 150 +blue(up) 6.86066 0.733435 149 +blue(up) 5.20651 1.98931 148 +blue(up) 6.98145 0.271748 147 +blue(up) 6.76327 0.943862 146 +blue(up) 5.37839 -1.96388 145 +blue(up) 6.17503 -1.61843 144 +blue(up) 6.49155 1.33239 143 +blue(up) 6.46867 1.35757 142 +blue(up) 5.96491 -1.75184 141 +blue(up) 4.84477 1.99397 140 +blue(up) 6.48129 -1.34379 139 +blue(up) 6.98207 -0.26722 138 +blue(up) 6.99013 -0.198421 137 +blue(up) 6.28483 -1.53272 136 +blue(up) 5.45897 1.94662 135 +blue(up) 4.45485 1.92427 134 +blue(up) 3.02312 0.303253 133 +blue(up) 6.13172 -1.64901 132 +blue(up) 6.04423 -1.70575 131 diff --git a/examples/S95_regression/regression.py b/examples/S95_regression/regression.py index 2cec098c..b554bf97 100644 --- a/examples/S95_regression/regression.py +++ b/examples/S95_regression/regression.py @@ -10,7 +10,7 @@ 'polymer_end','polymer_mid','rafts','rafts3D','ReflectToNewSpecies', 'structexpansion','surf1','surf2','surf3','surfaceboundjump','surfacedrift2', 'surfacedrift3','surfacereact','stick', - 'surfacediffuse','tracking','tracking2','trisphere'] + 'surfacediffuse','tracking','tracking2','translatemol2','trisphere'] suffix=input('Enter suffix for new simulations: ') reference=input('Enter suffix for reference simulations or "none": ') diff --git a/windows/install.bat b/windows/install.bat index cada9563..46f52232 100644 --- a/windows/install.bat +++ b/windows/install.bat @@ -28,7 +28,7 @@ copy "%FROMDIR%lib\libsmoldyn_shared.dll" "%DESTDIR%lib" echo Installing Python bindings where pip /q -if %ERRORLEVEL% == 0 (pip install "%FROMDIR%bin\smoldyn-2.70-cp39-cp39-win_amd64.whl") else (echo WARNING: Not installing Python bindings because pip cannot be found) +if %ERRORLEVEL% == 0 (pip install "%FROMDIR%bin\smoldyn-2.71-cp39-cp39-win_amd64.whl") else (echo WARNING: Not installing Python bindings because pip cannot be found) echo Adding Smoldyn directory to local and system path echo.%PATH% > "%DESTDIR%PATH_old.txt"