Commit 08eefd66 authored by peastman's avatar peastman
Browse files

Created Python API for MonteCarloMembraneBarostat

parent 7d1e3fc4
...@@ -56,6 +56,7 @@ ...@@ -56,6 +56,7 @@
#include "openmm/LocalEnergyMinimizer.h" #include "openmm/LocalEnergyMinimizer.h"
#include "openmm/MonteCarloAnisotropicBarostat.h" #include "openmm/MonteCarloAnisotropicBarostat.h"
#include "openmm/MonteCarloBarostat.h" #include "openmm/MonteCarloBarostat.h"
#include "openmm/MonteCarloMembraneBarostat.h"
#include "openmm/NonbondedForce.h" #include "openmm/NonbondedForce.h"
#include "openmm/Context.h" #include "openmm/Context.h"
#include "openmm/OpenMMException.h" #include "openmm/OpenMMException.h"
......
...@@ -156,6 +156,7 @@ UNITS = { ...@@ -156,6 +156,7 @@ UNITS = {
("*", "getDefaultPressureX") : ("unit.bar", ()), ("*", "getDefaultPressureX") : ("unit.bar", ()),
("*", "getDefaultPressureY") : ("unit.bar", ()), ("*", "getDefaultPressureY") : ("unit.bar", ()),
("*", "getDefaultPressureZ") : ("unit.bar", ()), ("*", "getDefaultPressureZ") : ("unit.bar", ()),
("*", "getDefaultSurfaceTension") : ("unit.bar*unit.nanometer", ()),
("*", "getDefaultTemperature") : ("unit.kelvin", ()), ("*", "getDefaultTemperature") : ("unit.kelvin", ()),
("*", "getErrorTolerance") : (None, ()), ("*", "getErrorTolerance") : (None, ()),
("*", "getEwaldErrorTolerance") : (None, ()), ("*", "getEwaldErrorTolerance") : (None, ()),
...@@ -416,6 +417,8 @@ UNITS = { ...@@ -416,6 +417,8 @@ UNITS = {
("System", "getForce") : (None, ()), ("System", "getForce") : (None, ()),
("System", "getVirtualSite") : (None, ()), ("System", "getVirtualSite") : (None, ()),
("DrudeLangevinIntegrator", "getDrudeTemperature") : ("unit.kelvin", ()), ("DrudeLangevinIntegrator", "getDrudeTemperature") : ("unit.kelvin", ()),
("MonteCarloMembraneBarostat", "getXYMode") : (None, ()),
("MonteCarloMembraneBarostat", "getZMode") : (None, ()),
("DrudeLangevinIntegrator", "getDrudeFriction") : ("1/unit.picosecond", ()), ("DrudeLangevinIntegrator", "getDrudeFriction") : ("1/unit.picosecond", ()),
("DrudeSCFIntegrator", "getMinimizationErrorTolerance") : ("unit.kilojoules_per_mole/unit.nanometer", ()), ("DrudeSCFIntegrator", "getMinimizationErrorTolerance") : ("unit.kilojoules_per_mole/unit.nanometer", ()),
("RPMDIntegrator", "getContractions") : (None, ()), ("RPMDIntegrator", "getContractions") : (None, ()),
......
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