Commit 8be6e843 authored by Kyle Beauchamp's avatar Kyle Beauchamp
Browse files

Fix more integrators

parent a2438509
......@@ -72,6 +72,8 @@ double BrownianIntegrator::computeKineticEnergy() {
}
void BrownianIntegrator::step(int steps) {
if (context == NULL)
throw OpenMMException("This Integrator is not bound to a context!");
for (int i = 0; i < steps; ++i) {
context->updateContextState();
context->calcForcesAndEnergy(true, false);
......
......@@ -89,6 +89,8 @@ double DrudeLangevinIntegrator::computeKineticEnergy() {
}
void DrudeLangevinIntegrator::step(int steps) {
if (context == NULL)
throw OpenMMException("This Integrator is not bound to a context!");
for (int i = 0; i < steps; ++i) {
context->updateContextState();
context->calcForcesAndEnergy(true, false);
......
......@@ -86,6 +86,8 @@ double DrudeSCFIntegrator::computeKineticEnergy() {
}
void DrudeSCFIntegrator::step(int steps) {
if (context == NULL)
throw OpenMMException("This Integrator is not bound to a context!");
for (int i = 0; i < steps; ++i) {
context->updateContextState();
context->calcForcesAndEnergy(true, false);
......
......@@ -168,6 +168,8 @@ double RPMDIntegrator::computeKineticEnergy() {
}
void RPMDIntegrator::step(int steps) {
if (context == NULL)
throw OpenMMException("This Integrator is not bound to a context!");
if (!hasSetPosition) {
// Initialize the positions from the context.
......
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