Commit 0a1895d3 authored by jchodera's avatar jchodera
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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 { ...@@ -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 * <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> * 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>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> * </ul>
* *
* The expression also may involve tabulated functions, and may depend on arbitrary * The expression also may involve tabulated functions, and may depend on arbitrary
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...@@ -69,8 +69,9 @@ namespace OpenMM { ...@@ -69,8 +69,9 @@ namespace OpenMM {
* computed. You can then query its value in a Context by calling getState() on it. * 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 * 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 * 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.
* 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. * 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. * select(x,y,z) = z if x = 0, y otherwise.
*/ */
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