Commit 0a1895d3 authored by jchodera's avatar jchodera
Browse files

Update docstrings of CustomCompoundBondForce and CustomTorsionForce to specify...

Update docstrings of CustomCompoundBondForce and CustomTorsionForce to specify units and domain of torsion
parent 388bf972
......@@ -57,7 +57,7 @@ namespace OpenMM {
* <li>distance(p1, p2): the distance between particles p1 and p2 (where "p1" and "p2" may be replaced by the names
* of whichever particles you want to calculate the distance between).</li>
* <li>angle(p1, p2, p3): the angle formed by the three specified particles.</li>
* <li>dihedral(p1, p2, p3, p4): the dihedral angle formed by the four specified particles.</li>
* <li>dihedral(p1, p2, p3, p4): the dihedral angle formed by the four specified particles, in radians, on the domain [-pi,+pi).</li>
* </ul>
*
* The expression also may involve tabulated functions, and may depend on arbitrary
......@@ -87,7 +87,7 @@ namespace OpenMM {
* force->addPerBondParameter("theta0");
* force->addPerBondParameter("r0");
* </pre></tt>
*
*
* This class also has the ability to compute derivatives of the potential energy with respect to global parameters.
* Call addEnergyParameterDerivative() to request that the derivative with respect to a particular parameter be
* computed. You can then query its value in a Context by calling getState() on it.
......
......@@ -63,14 +63,15 @@ namespace OpenMM {
* force->addPerTorsionParameter("k");
* force->addPerTorsionParameter("theta0");
* </pre></tt>
*
*
* This class also has the ability to compute derivatives of the potential energy with respect to global parameters.
* Call addEnergyParameterDerivative() to request that the derivative with respect to a particular parameter be
* computed. You can then query its value in a Context by calling getState() on it.
*
* Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
* functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select. All trigonometric functions
* are defined in radians, and log is the natural logarithm. step(x) = 0 if x is less than 0, 1 otherwise. delta(x) = 1 if x is 0, 0 otherwise.
* functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.
* All trigonometric functions are defined in radians, with the torsion `theta` on the domain [-pi, +pi), and log is the natural logarithm.
* step(x) = 0 if x is less than 0, 1 otherwise. delta(x) = 1 if x is 0, 0 otherwise.
* select(x,y,z) = z if x = 0, y otherwise.
*/
......
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