Fix TypeError in System.number_of_particles()

src/core/grid_based_algorithms/electrokinetics.hpp

@@ -165,7 +165,6 @@ void ek_calculate_electrostatic_coupling();
 int ek_set_bulk_viscosity(double bulk_viscosity);
 int ek_set_gamma_odd(double gamma_odd);
 int ek_set_gamma_even(double gamma_even);
-int ek_set_lb_force_density(double *ext_force_density);
 int ek_set_density(int species, double density);
 int ek_set_D(int species, double D);
 int ek_set_valency(int species, double valency);

src/python/espressomd/electrokinetics.pxd

@@ -79,10 +79,8 @@ IF ELECTROKINETICS and CUDA:
         cdef extern EK_parameters ek_parameters
 
         # EK functions
-        void ek_integrate()
         void ek_print_parameters()
         void ek_print_lbpar()
-        void lb_set_ek_pointer(EK_parameters * pointeradress)
         unsigned int ek_calculate_boundary_mass()
         int ek_print_vtk_density(int species, char * filename)
         int ek_print_vtk_flux(int species, char * filename)
@@ -102,7 +100,6 @@ IF ELECTROKINETICS and CUDA:
         int ek_set_bulk_viscosity(double bulk_viscosity)
         int ek_set_gamma_odd(double gamma_odd)
         int ek_set_gamma_even(double gamma_even)
-        int ek_set_lb_force_density(double * ext_force_density)
         int ek_set_density(int species, double density)
         int ek_set_D(int species, double D)
         int ek_set_valency(int species, double valency)
@@ -123,8 +120,4 @@ IF ELECTROKINETICS and CUDA:
         int ek_load_checkpoint(char * filename)
 
         int ek_set_electrostatics_coupling(bool electrostatics_coupling)
-        void ek_calculate_electrostatic_coupling()
         int ek_print_vtk_particle_potential(char * filename)
-
-        IF EK_BOUNDARIES:
-            void ek_init_species_density_wallcharge(ekfloat * wallcharge_species_density, int wallcharge_species)

src/python/espressomd/electrostatics.pxd

@@ -210,9 +210,6 @@ IF ELECTROSTATICS:
         int MMM1D_sanity_checks()
         int mmm1d_tune(char ** log)
 
-    cdef extern from "nonbonded_interactions/nonbonded_interaction_data.hpp":
-        int coulomb_set_prefactor(double prefactor)
-
     cdef inline pyMMM1D_tune():
         cdef char * log = NULL
         cdef int resp
@@ -254,6 +251,5 @@ IF ELECTROSTATICS and MMM1D_GPU:
 
             float force_benchmark(SystemInterface & s)
 
-            void check_periodicity()
             void activate()
             void deactivate()

src/python/espressomd/lb.pxd

@@ -72,7 +72,6 @@ cdef extern from "grid_based_algorithms/lb_interface.hpp":
     void lb_lbfluid_save_checkpoint(string filename, int binary) except +
     void lb_lbfluid_load_checkpoint(string filename, int binary) except +
     void lb_lbfluid_set_lattice_switch(ActiveLB local_lattice_switch) except +
-    ActiveLB lb_lbfluid_get_lattice_switch() except +
     Vector6d lb_lbfluid_get_stress() except +
     bool lb_lbnode_is_index_valid(const Vector3i & ind) except +
     Vector3i lb_lbfluid_get_shape() except +

src/python/espressomd/particle_data.pxd

@@ -83,8 +83,6 @@ cdef extern from "particle_data.hpp":
 
     void set_particle_f(int part, const Vector3d & F)
 
-    void set_particle_solvation(int part, double * solvation)
-
     IF ROTATION:
         void set_particle_rotation(int part, int rot)
 
@@ -114,13 +112,9 @@ cdef extern from "particle_data.hpp":
         void set_particle_omega_lab(int part, Vector3d omega)
         void set_particle_omega_body(int part, Vector3d omega)
         void set_particle_torque_lab(int part, Vector3d torque)
-        void set_particle_torque_body(int part, Vector3d torque)
         void pointer_to_omega_body(const particle * p, const double * & res)
         Vector3d get_torque_body(const particle p)
 
-    IF MASS:
-        void pointer_to_mass(particle * p, double * & res)
-
     IF DIPOLES:
         void set_particle_dip(int part, double dip[3])
 

src/python/espressomd/script_interface.pxd

@@ -35,7 +35,6 @@ cdef extern from "ScriptInterface.hpp" namespace "ScriptInterface":
         Variant()
         Variant(const Variant & )
         Variant & operator = (const Variant &)
-        int which()
 
     bool is_type[T](const Variant &)
     bool is_none(const Variant &)

src/python/espressomd/system.pyx

@@ -32,9 +32,6 @@ from . import particle_data
 from . import cuda_init
 from . import code_info
 from .utils cimport make_array_locked, make_Vector3d, Vector3d
-from .lb cimport lb_lbfluid_get_tau
-from .lb cimport lb_lbfluid_get_lattice_switch
-from .lb cimport NONE
 from .thermostat import Thermostat
 from .cellsystem import CellSystem
 from .analyze import Analysis
@@ -47,9 +44,9 @@ if LB_BOUNDARIES or LB_BOUNDARIES_GPU:
 from .comfixed import ComFixed
 from .globals import Globals
 from .globals cimport FIELD_SIMTIME, FIELD_MAX_OIF_OBJECTS
-from .globals cimport max_seen_particle_type, integ_switch, max_oif_objects, sim_time
+from .globals cimport integ_switch, max_oif_objects, sim_time
 from .globals cimport recalc_maximal_cutoff_bonded, recalc_maximal_cutoff_nonbonded, mpi_bcast_parameter
-from .utils cimport handle_errors
+from .utils cimport handle_errors, check_type_or_throw_except
 IF VIRTUAL_SITES:
     from .virtual_sites import ActiveVirtualSitesHandle, VirtualSitesOff
 
@@ -395,15 +392,6 @@ cdef class System:
             """
             auto_exclusions(distance)
 
-    def _is_valid_type(self, current_type):
-        return not (isinstance(current_type, int)
-                    or current_type < 0
-                    or current_type > max_seen_particle_type)
-
-    def check_valid_type(self, current_type):
-        if self._is_valid_type(current_type):
-            raise ValueError("type", current_type, "does not exist!")
-
     def setup_type_map(self, type_list=None):
         """
         For using ESPResSo conveniently for simulations in the grand canonical
@@ -425,7 +413,7 @@ cdef class System:
         """
         Parameters
         ----------
-        current_type : :obj:`int` (:attr:`~espressomd.particle_data.ParticleHandle.type`)
+        type : :obj:`int` (:attr:`~espressomd.particle_data.ParticleHandle.type`)
             Particle type to count the number for.
 
         Returns
@@ -434,7 +422,7 @@ cdef class System:
             The number of particles which have the given type.
 
         """
-        self.check_valid_type(type)
+        check_type_or_throw_except(type, 1, int, "type must be 1 int")
         number = number_of_particles_with_type(type)
         handle_errors("")
         return int(number)