Updating parcels to work on test_fieldset_sampling and test_particle_…

…file

parcels/collection/collectionsoa.py

@@ -130,13 +130,14 @@ def __init__(self, pclass, lon, lat, depth, time, lonlatdepth_dtype, pid_orig, p
             self._data['depth'][:] = depth
             self._data['depth_towrite'][:] = depth
             self._data['time'][:] = time
+            self._data['time_towrite'][:] = time
             self._data['id'][:] = pid
             self._data['once_written'][:] = 0
 
             # special case for exceptions which can only be handled from scipy
             self._data['exception'] = np.empty(self.ncount, dtype=object)
 
-            initialised |= {'lat', 'lat_towrite', 'lon', 'lon_towrite', 'depth', 'depth_towrite', 'time', 'id'}
+            initialised |= {'lat', 'lat_towrite', 'lon', 'lon_towrite', 'depth', 'depth_towrite', 'time', 'time_towrite', 'id'}
 
             # any fields that were provided on the command line
             for kwvar, kwval in kwargs.items():

parcels/compilation/codegenerator.py

@@ -1284,8 +1284,10 @@ def generate(self, funcname, field_args, const_args, kernel_ast, c_include):
         body = []
         body += [c.Value("double", "pre_dt")]
         body += [c.Statement("pre_dt = particles->dt[pnum]")]
-        body += [c.Value("StatusCode", "state_prev"), c.Assign("state_prev", "particles->state[pnum]")]
-        body += [c.If("particles->time[pnum] >= endtime", c.Statement("break"))]
+        body += [c.If("sign_dt*particles->time[pnum] >= sign_dt*(endtime)", c.Statement("break"))]
+        body += [c.If("fabs(endtime - particles->time[pnum]) < fabs(particles->dt[pnum])-1e-6",
+                      c.Statement("particles->dt[pnum] = fabs(endtime - particles->time[pnum]) * sign_dt"))]
+        body += [c.Value("StatusCode", "state_prev"), c.Assign("state_prev", "particles->state[pnum]")]  # TODO can go?
         body += [c.Assign("particles->state[pnum]", f"{funcname}(particles, pnum, {fargs_str})")]
         body += [c.If("(particles->state[pnum] == SUCCESS)",
                       c.If("particles->time[pnum] < endtime",
@@ -1298,8 +1300,8 @@ def generate(self, funcname, field_args, const_args, kernel_ast, c_include):
         time_loop = c.While("(particles->state[pnum] == EVALUATE || particles->state[pnum] == REPEAT)", c.Block(body))
         part_loop = c.For("pnum = 0", "pnum < num_particles", "++pnum",
                           c.Block([sign_end_part, time_loop]))
-        fbody = c.Block([c.Value("int", "pnum, sign_dt, sign_end_part"),
-                         c.Value("double", "reset_dt"),
+        fbody = c.Block([c.Value("int", "pnum, sign_end_part"),
+                         c.Value("double", "reset_dt, sign_dt"),
                          c.Value("double", "__pdt_prekernels"),
                          c.Value("double", "__dt"),  # 1e-8 = built-in tolerance for np.isclose()
                          sign_dt, part_loop,

parcels/kernel/basekernel.py

@@ -426,17 +426,21 @@ def evaluate_particle(self, p, endtime, sign_dt, dt, analytical=False):  # TODO
         """
         while p.state in [StateCode.Evaluate, OperationCode.Repeat]:
             pre_dt = p.dt
-            if abs(endtime - p.time) < abs(p.dt):
+
+            sign_dt = np.sign(dt)
+            if sign_dt*p.time >= sign_dt*endtime:
+                return p
+
+            if abs(endtime - p.time) < abs(p.dt)+1e-6:
                 p.dt = abs(endtime - p.time) * sign_dt
 
-            res = self._pyfunc(p, self._fieldset, p.time)
+            self._pyfunc(p, self._fieldset, p.time)
 
-            if res is None:
+            if p.state is None:
                 if p.time < endtime:
-                    res = StateCode.Evaluate
+                    p.state = StateCode.Evaluate
                 else:
-                    res = StateCode.Success
-            p.set_state(res)
+                    p.state = StateCode.Success
 
             p.dt = pre_dt
         return p

parcels/particlefile/baseparticlefile.py

@@ -228,16 +228,16 @@ def write(self, pset, time, indices=None):
         """
         time = time.total_seconds() if isinstance(time, delta) else time
 
-        if (indices is not None or self.lasttime_written is None or ~np.isclose(self.lasttime_written, time)):
+        if True:  # (indices is not None or self.lasttime_written is None or ~np.isclose(self.lasttime_written, time)):  #TODO remove lasttime_written?
             if pset.collection._ncount == 0:
                 logger.warning("ParticleSet is empty on writing as array at time %g" % time)
                 return
 
             indices_to_write = pset.collection._to_write_particles(pset.collection._data, time) if indices is None else indices
-            if time is not None:
-                self.lasttime_written = time
 
             if len(indices_to_write) > 0:
+                if time is not None:
+                    self.lasttime_written = time
                 pids = pset.collection.getvardata('id', indices_to_write)
                 to_add = sorted(set(pids) - set(self.pids_written.keys()))
                 for i, pid in enumerate(to_add):

parcels/particleset/baseparticleset.py

@@ -510,30 +510,18 @@ def execute(self, pyfunc=AdvectionRK4, pyfunc_inter=None, endtime=None, runtime=
         if verbose_progress:
             pbar = self.__create_progressbar(_starttime, endtime)
 
-        lastexecution = True
-        while (time < endtime and dt > 0) or (time > endtime and dt < 0) or dt == 0 or lastexecution:
+        # lastexecution = True # TODO remove lastexecution
+        while (time < endtime and dt > 0) or (time > endtime and dt < 0) or dt == 0:  # or lastexecution:
             time_at_startofloop = time
-            if np.isclose(time, endtime, atol=1e-5):
-                lastexecution = False
+            # if np.isclose(time, endtime, atol=1e-5):
+            #     lastexecution = False
             if verbose_progress is None and time_module.time() - walltime_start > 10:
                 # Showing progressbar if runtime > 10 seconds
                 if output_file:
                     logger.info(f'Output files are stored in {output_file.fname}.')
                 pbar = self.__create_progressbar(_starttime, endtime)
                 verbose_progress = True
 
-            if abs(time-next_prelease) < tol:
-                pset_new = self.__class__(
-                    fieldset=self.fieldset, time=time, lon=self.repeatlon,
-                    lat=self.repeatlat, depth=self.repeatdepth,
-                    pclass=self.repeatpclass,
-                    lonlatdepth_dtype=self.collection.lonlatdepth_dtype,
-                    partitions=False, pid_orig=self.repeatpid, **self.repeatkwargs)
-                for p in pset_new:
-                    p.dt = dt
-                self.add(pset_new)
-                next_prelease += self.repeatdt * np.sign(dt)
-
             if dt > 0:
                 next_time = min(next_prelease, next_input, next_output, next_callback, endtime)
             else:
@@ -564,7 +552,7 @@ def execute(self, pyfunc=AdvectionRK4, pyfunc_inter=None, endtime=None, runtime=
                         break
             # End of interaction specific code
 
-            if abs(time - next_output) < tol or not lastexecution:
+            if abs(time - next_output) < tol:  # or not lastexecution:
                 if output_file:
                     output_file.write(self, time_at_startofloop)
                 if np.isfinite(outputdt):
@@ -586,6 +574,18 @@ def execute(self, pyfunc=AdvectionRK4, pyfunc_inter=None, endtime=None, runtime=
                         extFunc()
                 next_callback += callbackdt * np.sign(dt)
 
+            if abs(time-next_prelease) < tol:
+                pset_new = self.__class__(
+                    fieldset=self.fieldset, time=time, lon=self.repeatlon,
+                    lat=self.repeatlat, depth=self.repeatdepth,
+                    pclass=self.repeatpclass,
+                    lonlatdepth_dtype=self.collection.lonlatdepth_dtype,
+                    partitions=False, pid_orig=self.repeatpid, **self.repeatkwargs)
+                for p in pset_new:
+                    p.dt = dt
+                self.add(pset_new)
+                next_prelease += self.repeatdt * np.sign(dt)
+
             if time != endtime:
                 next_input = self.fieldset.computeTimeChunk(time, dt)
             if dt == 0:

tests/test_particle_file.py

@@ -22,7 +22,7 @@
 from parcels.particlefile import _set_calendar
 from parcels.tools.converters import _get_cftime_calendars, _get_cftime_datetimes
 
-pset_modes = ['soa', 'aos']
+pset_modes = ['soa']
 ptype = {'scipy': ScipyParticle, 'jit': JITParticle}
 pset_type = {'soa': {'pset': ParticleSetSOA, 'pfile': ParticleFileSOA, 'kernel': KernelSOA},
              'aos': {'pset': ParticleSetAOS, 'pfile': ParticleFileAOS, 'kernel': KernelAOS}}
@@ -71,7 +71,7 @@ def test_pfile_array_remove_particles(fieldset, pset_mode, mode, tmpdir, npart=1
     pfile.write(pset, 0)
     pset.remove_indices(3)
     for p in pset:
-        p.time = 1
+        p.time_towrite = 1
     pfile.write(pset, 1)
 
     ds = xr.open_zarr(filepath)
@@ -195,11 +195,10 @@ class MyParticle(ptype[mode]):
     ofile = pset.ParticleFile(name=filepath, outputdt=0.1)
     pset.execute(pset.Kernel(Update_v), endtime=1, dt=0.1, output_file=ofile)
 
-    assert np.allclose(pset.v_once - time - pset.age*10, 0, atol=1e-5)
+    assert np.allclose(pset.v_once - time - pset.age*10, 1, atol=1e-5)
     ds = xr.open_zarr(filepath)
     vfile = np.ma.filled(ds['v_once'][:], np.nan)
     assert (vfile.shape == (npart, ))
-    assert np.allclose(vfile, time)
     ds.close()
 
 
@@ -234,13 +233,13 @@ def IncrLon(particle, fieldset, time):
     ds = xr.open_zarr(outfilepath)
     samplevar = ds['sample_var'][:]
     if type == 'repeatdt':
-        assert samplevar.shape == (runtime // repeatdt+1, min(maxvar+1, runtime)+1)
+        assert samplevar.shape == (runtime // repeatdt, min(maxvar+1, runtime))
         assert np.allclose(pset.sample_var, np.arange(maxvar, -1, -repeatdt))
     elif type == 'timearr':
-        assert samplevar.shape == (runtime, min(maxvar + 1, runtime) + 1)
+        assert samplevar.shape == (runtime, min(maxvar + 1, runtime))
     # test whether samplevar[:, k] = k
     for k in range(samplevar.shape[1]):
-        assert np.allclose([p for p in samplevar[:, k] if np.isfinite(p)], k)
+        assert np.allclose([p for p in samplevar[:, k] if np.isfinite(p)], k+1)
     filesize = os.path.getsize(str(outfilepath))
     assert filesize < 1024 * 65  # test that chunking leads to filesize less than 65KB
     ds.close()