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Always define q #2266

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merged 4 commits into from
Sep 24, 2018
Merged

Always define q #2266

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3863896
Always define q
pdebuyl Sep 13, 2018
cfe0b03
fix compilation of "q" when undefined
pdebuyl Sep 14, 2018
04a41a4
remove extra "const" for ParticleProperties::q
pdebuyl Sep 14, 2018
5966752
fix style
pdebuyl Sep 24, 2018
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5 changes: 3 additions & 2 deletions src/core/particle_data.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -598,6 +598,9 @@ int set_particle_q(int part, double q) {
mpi_send_q(pnode, part, q);
return ES_OK;
}
#ifndef ELECTROSTATICS
constexpr double ParticleProperties::q;
#endif

#ifdef LB_ELECTROHYDRODYNAMICS
int set_particle_mu_E(int part, double mu_E[3]) {
Expand Down Expand Up @@ -1247,9 +1250,7 @@ void pointer_to_quatu(Particle const *p, double const *&res) {
}
#endif

#ifdef ELECTROSTATICS
void pointer_to_q(Particle const *p, double const *&res) { res = &(p->p.q); }
#endif

#ifdef VIRTUAL_SITES
void pointer_to_virtual(Particle const *p, int const *&res) {
Expand Down
6 changes: 3 additions & 3 deletions src/core/particle_data.hpp
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Expand Up @@ -123,9 +123,11 @@ struct ParticleProperties {
// integrated
short int rotation = 0;

#ifdef ELECTROSTATICS
/** charge. */
#ifdef ELECTROSTATICS
double q = 0.0;
#else
constexpr static double q{0.0};
#endif

#ifdef LB_ELECTROHYDRODYNAMICS
Expand Down Expand Up @@ -991,9 +993,7 @@ void pointer_to_quatu(Particle const *p, double const *&res);

#endif

#ifdef ELECTROSTATICS
void pointer_to_q(Particle const *p, double const *&res);
#endif

#ifdef VIRTUAL_SITES
void pointer_to_virtual(Particle const *p, int const *&res);
Expand Down
6 changes: 2 additions & 4 deletions src/python/espressomd/particle_data.pxd
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Expand Up @@ -109,8 +109,7 @@ cdef extern from "particle_data.hpp":
int set_particle_rotation(int part, int rot)
void pointer_to_rotation(const particle * p, const short int * & res)

IF ELECTROSTATICS:
int set_particle_q(int part, double q)
int set_particle_q(int part, double q)

IF LB_ELECTROHYDRODYNAMICS:
int set_particle_mu_E(int part, double mu_E[3])
Expand Down Expand Up @@ -178,8 +177,7 @@ cdef extern from "particle_data.hpp":
int set_particle_vs_relative(int part, int vs_relative_to, double vs_distance, double * rel_ori)
void set_particle_vs_quat(int part, double * vs_quat)

IF ELECTROSTATICS:
void pointer_to_q(const particle * P, const double * & res)
void pointer_to_q(const particle * P, const double * & res)

IF EXTERNAL_FORCES:
IF ROTATION:
Expand Down
39 changes: 19 additions & 20 deletions src/python/espressomd/particle_data.pyx
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Expand Up @@ -609,31 +609,30 @@ cdef class ParticleHandle(object):


# Charge
IF ELECTROSTATICS:
property q:
"""
Particle charge.
property q:
"""
Particle charge.

q : :obj:`float`
q : :obj:`float`

.. note::
This needs the feature ELECTROSTATICS.
.. note::
This needs the feature ELECTROSTATICS.

"""
"""

def __set__(self, _q):
cdef double myq
check_type_or_throw_except(
_q, 1, float, "Charge has to be floats.")
myq = _q
if set_particle_q(self._id, myq) == 1:
raise Exception("Set particle position first.")
def __set__(self, _q):
cdef double myq
check_type_or_throw_except(
_q, 1, float, "Charge has to be floats.")
myq = _q
if set_particle_q(self._id, myq) == 1:
raise Exception("Set particle position first.")

def __get__(self):
self.update_particle_data()
cdef const double * x = NULL
pointer_to_q(self.particle_data, x)
return x[0]
def __get__(self):
self.update_particle_data()
cdef const double * x = NULL
pointer_to_q(self.particle_data, x)
return x[0]

IF LB_ELECTROHYDRODYNAMICS:
property mu_E:
Expand Down