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const SphereShape & | sphere (int i) const |
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const SCVector3 | A () const |
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const SCVector3 | B () const |
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double | radius () const |
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void | print (std::ostream &o=ExEnv::out0()) const |
| Print information about the object.
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void | boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2) |
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int | gradient_implemented () const |
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| Shape (const Ref< KeyVal > &keyval) |
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virtual double | distance_to_surface (const SCVector3 &r, SCVector3 *grad=0) const =0 |
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virtual int | is_outside (const SCVector3 &r) const |
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void | compute () |
| Recompute at least the results that have compute true and are not already computed. More...
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void | interpolate (const SCVector3 &p1, const SCVector3 &p2, double val, SCVector3 &result) |
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int | value_implemented () const |
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| Volume (const Ref< KeyVal > &) |
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void | set_gradient (const SCVector3 &g) |
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void | set_gradient (RefSCVector &g) |
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void | get_gradient (SCVector3 &g) |
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void | set_x (const SCVector3 &x) |
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void | set_x (const RefSCVector &x) |
| Set and retrieve the coordinate values.
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void | get_x (SCVector3 &x) |
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virtual void | solve (const SCVector3 &p, const SCVector3 &grad, double value, SCVector3 &result) |
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virtual RefSCVector | gradient () |
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int | gradient_needed () const |
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int | do_gradient (int) |
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virtual void | set_desired_gradient_accuracy (double) |
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virtual double | actual_gradient_accuracy () const |
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virtual double | desired_gradient_accuracy () const |
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AccResultRefSCVector & | gradient_result () |
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virtual RefSymmSCMatrix | hessian () |
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int | hessian_needed () const |
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int | do_hessian (int) |
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virtual void | set_desired_hessian_accuracy (double) |
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virtual double | actual_hessian_accuracy () const |
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virtual double | desired_hessian_accuracy () const |
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AccResultRefSymmSCMatrix & | hessian_result () |
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virtual bool | desired_value_accuracy_set_to_default () const |
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virtual bool | desired_gradient_accuracy_set_to_default () const |
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virtual bool | desired_hessian_accuracy_set_to_default () const |
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virtual void | guess_hessian (RefSymmSCMatrix &) |
| Compute a quick, approximate hessian.
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virtual RefSymmSCMatrix | inverse_hessian (RefSymmSCMatrix &) |
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virtual int | hessian_implemented () const |
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RefSCVector | get_x () const |
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const RefSCVector & | get_x_no_copy () const |
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virtual Ref< NonlinearTransform > | change_coordinates () |
| An optimizer can call change coordinates periodically to give the function an opportunity to change its coordinate system. More...
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void | print_desired_accuracy (std::ostream &=ExEnv::out0()) const |
| similar to print(), but only prins desired accuracies
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virtual bool | throw_if_tolerance_exceeded () const |
| Overridden Compute member.
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| Function () |
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| Function (StateIn &) |
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| Function (const Function &) |
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| Function (const Ref< KeyVal > &, double funcacc=DBL_EPSILON, double gradacc=DBL_EPSILON, double hessacc=DBL_EPSILON) |
| The keyval constructor reads the following keywords: More...
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virtual | ~Function () |
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Function & | operator= (const Function &) |
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Ref< SCMatrixKit > | matrixkit () const |
| Return the SCMatrixKit used to construct vectors and matrices.
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RefSCDimension | dimension () const |
| Return the SCDimension of the problem.
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virtual void | save_data_state (StateOut &) |
| Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. More...
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virtual double | value () |
| Return the value of the function.
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int | value_needed () const |
| Returns nonzero if the current value is not up-to-date.
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int | do_value (int) |
| If passed a nonzero number, compute the value the next time compute() is called. More...
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AccResultdouble & | value_result () |
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virtual void | set_desired_value_accuracy (double) |
| Set the accuracy to which the value is to be computed.
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virtual double | actual_value_accuracy () const |
| Return the accuracy with which the value has been computed.
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virtual double | desired_value_accuracy () const |
| Return the accuracy with which the value is to be computed.
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SavableState & | operator= (const SavableState &) |
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void | save_state (StateOut &) |
| Save the state of the object as specified by the StateOut object. More...
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void | save_object_state (StateOut &) |
| This can be used for saving state when the exact type of the object is known for both the save and the restore. More...
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virtual void | save_vbase_state (StateOut &) |
| Save the virtual bases for the object. More...
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| DescribedClass (const DescribedClass &) |
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DescribedClass & | operator= (const DescribedClass &) |
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ClassDesc * | class_desc () const MPQC__NOEXCEPT |
| This returns the unique pointer to the ClassDesc corresponding to the given type_info object. More...
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const char * | class_name () const |
| Return the name of the object's exact type.
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int | class_version () const |
| Return the version of the class.
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Ref< DescribedClass > | ref () |
| Return this object wrapped up in a Ref smart pointer. More...
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size_t | identifier () const |
| Return the unique identifier for this object that can be compared for different objects of different types. More...
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int | lock_ptr () const |
| Lock this object.
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int | unlock_ptr () const |
| Unlock this object.
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void | use_locks (bool inVal) |
| start and stop using locks on this object
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refcount_t | nreference () const |
| Return the reference count.
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refcount_t | reference () |
| Increment the reference count and return the new count.
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refcount_t | dereference () |
| Decrement the reference count and return the new count.
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int | managed () const |
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void | unmanage () |
| Turn off the reference counting mechanism for this object. More...
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virtual void | obsolete () |
| Marks all results as being out of date. More...
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