Rotation cleanup #2382
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Rotation cleanup #2382
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* Remove duplicated frame conversion code * Make use of Vector3d
KaiSzuttor
previously requested changes
Nov 24, 2018
src/core/communication.cpp
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| @@ -815,7 +816,7 @@ void mpi_send_quat_slave(int pnode, int part) { | |||
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| /********************* REQ_SET_OMEGA ********/ | |||
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| void mpi_send_omega(int pnode, int part, double omega[3]) { | |||
| void mpi_send_omega(int pnode, int part, const double omega[3]) { | |||
src/core/communication.cpp
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| @@ -847,7 +848,7 @@ void mpi_send_omega_slave(int pnode, int part) { | |||
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| /********************* REQ_SET_TORQUE ********/ | |||
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| void mpi_send_torque(int pnode, int part, double torque[3]) { | |||
| void mpi_send_torque(int pnode, int part, const double torque[3]) { | |||
src/core/rotation.cpp
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| inline | ||
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| void | ||
| convert_torque_to_body_frame_apply_fix_and_thermostat(Particle &p) { |
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if there is an “and” in the function name you should think about splitting it
Codecov Report
@@ Coverage Diff @@
## python #2382 +/- ##
=======================================
+ Coverage 72% 72% +<1%
=======================================
Files 397 397
Lines 18765 18648 -117
=======================================
- Hits 13571 13487 -84
+ Misses 5194 5161 -33
Continue to review full report at Codecov.
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fweik
suggested changes
Nov 24, 2018
src/core/communication.cpp
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| } else { | ||
| MPI_Send(axis, 3, MPI_DOUBLE, pnode, SOME_TAG, comm_cart); | ||
| MPI_Send(axis.data(), 3, MPI_DOUBLE, pnode, SOME_TAG, comm_cart); |
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Please use boost::mpi, which will also fix all the builds.
src/core/communication.cpp
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| MPI_Recv(axis, 3, MPI_DOUBLE, 0, SOME_TAG, comm_cart, MPI_STATUS_IGNORE); | ||
| Vector3d axis; | ||
| double angle; | ||
| MPI_Recv(axis.data(), 3, MPI_DOUBLE, 0, SOME_TAG, comm_cart, |
src/core/minimize_energy.cpp
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| @@ -95,7 +95,7 @@ bool steepest_descent_step(void) { | |||
| } | |||
| #ifdef ROTATION | |||
| // Rotational increment | |||
| double dq[3]; // Vector parallel to torque | |||
| Vector3d dq; // Vector parallel to torque | |||
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Looks like can directly initialize dq and remove the loop in line 100.
src/core/rotation.cpp
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| ONEPART_TRACE(if (p->p.identity == check_id) | ||
| fprintf(stderr, "%d: OPT: PPOS p = (%.3f,%.3f,%.3f)\n", | ||
| this_node, p->r.p[0], p->r.p[1], p->r.p[2])); | ||
| } | ||
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| inline | ||
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src/core/rotation.cpp
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| /** Rotate the particle p around the NORMALIZED axis aSpaceFrame by amount phi | ||
| */ | ||
| void local_rotate_particle(Particle *p, double *aSpaceFrame, double phi) { | ||
| void local_rotate_particle(Particle &p, const Vector3d &a_space_frame, |
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Please rename a_space_frame to axis.
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Fixes #1318 |
fweik
approved these changes
Nov 26, 2018
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