Index: kernel/include/IMP/Particle.h =================================================================== --- kernel/include/IMP/Particle.h (revision 481) +++ kernel/include/IMP/Particle.h (working copy) @@ -38,8 +38,10 @@ inline std::ostream &operator<<(std::ostream &out, const FloatData &d) { - out << d.value << ": " << d.derivative; - if (d.is_optimized) out << "(opt)"; + out << d.value; + if (d.is_optimized) { + out << " (" << d.derivative << ")"; + } return out; } @@ -200,6 +202,9 @@ //! Show the particle /** \param[in] out Stream to write particle description to. + + All the attributes are shown. In addition, the deriviatives of the + optimized attributes are printed. */ void show(std::ostream& out = std::cout) const; @@ -336,7 +341,7 @@ { IMP_check(get_is_active(), "Do not touch inactive particles", InactiveParticleException()); - IMP_assert(value==value, "Can't add NaN to derivative"); + IMP_assert(value==value, "Can't add NaN to derivative in particle " << *this); float_indexes_.get_value(name).derivative+= da(value); }