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ssandrews committed Feb 5, 2023
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7 changes: 7 additions & 0 deletions CHANGELOG.md
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## 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).
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2 changes: 1 addition & 1 deletion CMakeLists.txt
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Expand Up @@ -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()
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7 changes: 4 additions & 3 deletions docs/Smoldyn/SmoldynCodeDoc.tex
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\usepackage{longtable}
\usepackage{listings}
\usepackage{url}
\usepackage{hyperref}

% settings for listings package
\lstset{
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\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

Expand Down Expand Up @@ -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. This arose from \ttt{gl2glutInit} being called in Simulation.cpp \ttt{Simulation::runSim} for all cases; it's now called in smolgraphics.c \ttt{smolsimulategl} instead.
\item Made it an error to enter command timing with either non-integer values for integer type commands, or to enter timing steps that are less than or equal to zero.
\item Improved command timing so that all commands that execute at a particular time are performed with integer commands first, then float commands (unchanged from before) and also, within these lists, in the order that they are listed in the configuration file (new functionality).
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4 changes: 2 additions & 2 deletions docs/Smoldyn/SmoldynManual.tex
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Expand Up @@ -92,8 +92,8 @@


\title{Smoldyn User's Manual}
\subtitle{Version 2.70}
\date{\copyright October, 2022}
\subtitle{Version 2.71}
\date{\copyright February, 2023}
\author{Steve Andrews}
\maketitle

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150 changes: 150 additions & 0 deletions examples/S95_regression/output_271/translatemol2_271_out.txt
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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
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green(solution) -0.752722 4.4356 117
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green(solution) -2.16277 6.34075 114
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green(solution) 8.40462 -6.06556 112
green(solution) 9.36061 -3.37592 111
green(solution) -4.29437 4.62712 110
green(solution) -8.25525 1.25018 109
green(solution) 4.64367 -0.26602 108
green(solution) -0.200632 -2.4157 107
green(solution) -9.52568 6.16849 106
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green(solution) -4.44098 -9.62116 103
green(solution) 0.887271 1.68858 102
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red(solution) 0.326216 5.37103 100
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red(solution) -6.42894 3.87732 96
red(solution) -7.70927 0.491111 95
red(solution) 2.4602 8.05377 94
red(solution) 8.34553 -9.25972 93
red(solution) 4.24411 -1.85123 92
red(solution) -9.54796 -3.87407 91
red(solution) -4.0566 8.25006 90
red(solution) 7.35698 -7.46084 89
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red(solution) -1.43809 -3.33312 1
blue(up) 5.88991 -1.79111 150
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2 changes: 1 addition & 1 deletion examples/S95_regression/regression.py
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Expand Up @@ -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": ')
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2 changes: 1 addition & 1 deletion windows/install.bat
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Expand Up @@ -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"
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