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Note that derivatives are not supported
1 parent d98fcc8 commit 76e48bc

4 files changed

Lines changed: 4 additions & 0 deletions

src/ConditionalPairRestraint.cpp

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@@ -66,6 +66,7 @@ Particles ConditionalPairRestraint::get_closest_built_residue_particles(Particle
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double ConditionalPairRestraint::unprotected_evaluate(DerivativeAccumulator *accum)
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const {
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if (accum) IMP_THROW("Derivatives not implemented", ModelException);
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//IMP_CHECK_OBJECT(a_.get());
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//IMP_CHECK_OBJECT(b_.get());
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IMP_CHECK_OBJECT(score_func_);

src/LoopPairDistanceRestraint.cpp

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@@ -357,6 +357,7 @@ double LoopPairDistanceRestraint::get_pair_distance(ParticleIndex pa,
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double LoopPairDistanceRestraint::unprotected_evaluate(DerivativeAccumulator *accum)
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const {
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if (accum) IMP_THROW("Derivatives not implemented", ModelException);
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double distance;

src/SecondaryStructureParsimonyRestraint.cpp

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@@ -29,6 +29,7 @@ SecondaryStructureParsimonyRestraint::SecondaryStructureParsimonyRestraint(Model
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double SecondaryStructureParsimonyRestraint::unprotected_evaluate(DerivativeAccumulator *accum)
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const {
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if (accum) IMP_THROW("Derivatives not implemented", ModelException);
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// Ge the number of residues
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int nres = atom::Hierarchy(get_model(), b_).get_children().size();

src/StructureElementConnectivityRestraint.cpp

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@@ -156,6 +156,7 @@ float StructureElementConnectivityRestraint::get_mean_distance_per_residue() con
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double StructureElementConnectivityRestraint::unprotected_evaluate(DerivativeAccumulator *accum)
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const {
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if (accum) IMP_THROW("Derivatives not implemented", ModelException);
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//IMP_CHECK_OBJECT(a_.get());
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//IMP_CHECK_OBJECT(b_.get());
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IMP_CHECK_OBJECT(score_func_);

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