Remove HarmonicDumbbell.

doc/sphinx/inter_bonded.rst

@@ -87,34 +87,6 @@ The third, optional parameter defines a cutoff radius. Whenever a
 harmonic bond gets longer than :math:`r_\mathrm{cut}`, the bond will be reported as broken,
 and a background error will be raised.
 
-.. _Harmonic Dumbbell Bond:
-
-Harmonic Dumbbell Bond
-~~~~~~~~~~~~~~~~~~~~~~
-
-.. note::
-
-    Requires ``ROTATION`` feature.
-
-
-A harmonic Dumbbell bond can be instantiated via
-:class:`espressomd.interactions.HarmonicDumbbellBond`::
-
-    from espressomd.interactions import HarmonicDumbbellBond
-    hdb = HarmonicDumbbellBond(k1=<float>, k2=<float>, r_0=<float>, r_cut=<float>)
-
-
-This bond is similar to the normal harmonic bond in such a way that it
-sets up a harmonic potential, i.e. a spring, between the two particles.
-Additionally the orientation of the first particle in the bond will be aligned along
-the distance vector between both particles. This alignment can be
-controlled by the second harmonic constant :math:`k_2`. Keep in mind that orientation will
-oscillate around the distance vector and some kind of
-friction needs to be present for it to relax.
-
-The roles of the parameters :math:`k_1, r_0, r_\mathrm{cut}` are exactly the same as for the
-harmonic bond.
-
 .. _Quartic bond:
 
 Quartic bond

src/core/bonded_interactions/CMakeLists.txt

@@ -10,7 +10,6 @@ target_sources(
           ${CMAKE_CURRENT_SOURCE_DIR}/dihedral.cpp
           ${CMAKE_CURRENT_SOURCE_DIR}/fene.cpp
           ${CMAKE_CURRENT_SOURCE_DIR}/harmonic.cpp
-          ${CMAKE_CURRENT_SOURCE_DIR}/harmonic_dumbbell.cpp
           ${CMAKE_CURRENT_SOURCE_DIR}/quartic.cpp
           ${CMAKE_CURRENT_SOURCE_DIR}/thermalized_bond.cpp
           ${CMAKE_CURRENT_SOURCE_DIR}/umbrella.cpp)

src/core/bonded_interactions/bonded_interaction_data.cpp

@@ -38,8 +38,6 @@ auto cutoff(int type, Bond_parameters const &bp) {
     return bp.fene.cutoff();
   case BONDED_IA_HARMONIC:
     return bp.harmonic.cutoff();
-  case BONDED_IA_HARMONIC_DUMBBELL:
-    return bp.harmonic_dumbbell.cutoff();
   case BONDED_IA_QUARTIC:
     return bp.quartic.cutoff();
   case BONDED_IA_BONDED_COULOMB:

src/core/bonded_interactions/bonded_interaction_data.hpp

@@ -367,7 +367,6 @@ union Bond_parameters {
   Oif_global_forces_bond_parameters oif_global_forces;
   Oif_local_forces_bond_parameters oif_local_forces;
   Harmonic_bond_parameters harmonic;
-  Harmonic_dumbbell_bond_parameters harmonic_dumbbell;
   Quartic_bond_parameters quartic;
   Bonded_coulomb_bond_parameters bonded_coulomb;
   Bonded_coulomb_sr_bond_parameters bonded_coulomb_sr;

src/core/energy_inline.hpp

@@ -36,7 +36,6 @@
 #include "bonded_interactions/dihedral.hpp"
 #include "bonded_interactions/fene.hpp"
 #include "bonded_interactions/harmonic.hpp"
-#include "bonded_interactions/harmonic_dumbbell.hpp"
 #include "bonded_interactions/quartic.hpp"
 #include "bonded_interactions/umbrella.hpp"
 #include "errorhandling.hpp"
@@ -219,10 +218,6 @@ calc_bonded_energy(Bonded_ia_parameters const &iaparams, Particle const &p1,
     switch (type) {
     case BONDED_IA_FENE:
       return fene_pair_energy(iaparams, dx);
-#ifdef ROTATION
-    case BONDED_IA_HARMONIC_DUMBBELL:
-      return harmonic_dumbbell_pair_energy(p1.r.calc_director(), iaparams, dx);
-#endif
     case BONDED_IA_HARMONIC:
       return harmonic_pair_energy(iaparams, dx);
     case BONDED_IA_QUARTIC:

src/core/forces_inline.hpp

@@ -30,7 +30,6 @@
 #include "bonded_interactions/dihedral.hpp"
 #include "bonded_interactions/fene.hpp"
 #include "bonded_interactions/harmonic.hpp"
-#include "bonded_interactions/harmonic_dumbbell.hpp"
 #include "bonded_interactions/quartic.hpp"
 #include "bonded_interactions/thermalized_bond.hpp"
 #include "bonded_interactions/umbrella.hpp"
@@ -311,18 +310,6 @@ calc_bond_pair_force(Particle const &p1, Particle const &p2,
   switch (iaparams.type) {
   case BONDED_IA_FENE:
     return fene_pair_force(iaparams, dx);
-#ifdef ROTATION
-  case BONDED_IA_HARMONIC_DUMBBELL: {
-    auto values =
-        harmonic_dumbbell_pair_force(p1.r.calc_director(), iaparams, dx);
-    if (values) {
-      torque = std::get<1>(values.get());
-      return boost::optional<Utils::Vector3d>(std::get<0>(values.get()));
-    }
-
-    return {};
-  }
-#endif
   case BONDED_IA_HARMONIC:
     return harmonic_pair_force(iaparams, dx);
   case BONDED_IA_QUARTIC:

src/python/espressomd/interactions.pxd

@@ -482,7 +482,6 @@ cdef extern from "bonded_interactions/bonded_interaction_data.hpp":
         Bonded_coulomb_bond_parameters bonded_coulomb
         Bonded_coulomb_sr_bond_parameters bonded_coulomb_sr
         Harmonic_bond_parameters harmonic
-        Harmonic_dumbbell_bond_parameters harmonic_dumbbell
         Angle_harmonic_bond_parameters angle_harmonic
         Angle_cosine_bond_parameters angle_cosine
         Angle_cossquare_bond_parameters angle_cossquare
@@ -550,10 +549,6 @@ cdef extern from "immersed_boundary/ibm_triel.hpp":
 cdef extern from "immersed_boundary/ibm_tribend.hpp":
     int IBM_Tribend_SetParams(const int bond_type, const int ind1, const int ind2, const int ind3, const int ind4, const double kb, const cbool flat)
 
-IF ROTATION:
-    cdef extern from "bonded_interactions/harmonic_dumbbell.hpp":
-        int harmonic_dumbbell_set_params(int bond_type, double k1, double k2, double r, double r_cut)
-
 cdef extern from "bonded_interactions/bonded_interaction_data.hpp":
     cdef enum TabulatedBondedInteraction:
         TAB_UNKNOWN = 0, TAB_BOND_LENGTH, TAB_BOND_ANGLE, TAB_BOND_DIHEDRAL
@@ -576,7 +571,6 @@ cdef extern from "bonded_interactions/bonded_interaction_data.hpp":
         BONDED_IA_NONE = -1,
         BONDED_IA_FENE,
         BONDED_IA_HARMONIC,
-        BONDED_IA_HARMONIC_DUMBBELL,
         BONDED_IA_BONDED_COULOMB,
         BONDED_IA_BONDED_COULOMB_SR,
         BONDED_IA_DIHEDRAL,