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// This file is a part of the mori - Material Orientation Library in Rust // Copyright 2018 Robert Carson // // Licensed under the Apache License, Version 2.0 (the "License"); // you may not use this file except in compliance with the License. // You may obtain a copy of the License at // // http://www.apache.org/licenses/LICENSE-2.0 // // Unless required by applicable law or agreed to in writing, software // distributed under the License is distributed on an "AS IS" BASIS, // WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. // See the License for the specific language governing permissions and // limitations under the License. use super::*; ///A structure that holds an array of compact Rodrigues vectors #[derive(Clone, Debug)] pub struct RodVecComp{ ori: Array2<f64>, } impl RodVecComp{ ///Creates an array of zeros for the initial compact Rodrigues vector parameterization when data is not fed into it pub fn new(size: usize) -> RodVecComp{ assert!(size > 0, "Size inputted: {}, was not greater than 0", size); let ori = Array2::<f64>::zeros((3, size).f()); RodVecComp{ ori, } }//End of new ///Creates a compact Rodrigues vector parameterization type with the supplied data as long as the supplied data is in the following format ///shape (4, nelems), memory order = fortran/column major. ///If it doesn't fit those standards it will fail. pub fn new_init(ori: Array2<f64>) -> RodVecComp{ let nrow = ori.rows(); assert!(nrow == 3, "Number of rows of array was: {}, which is not equal to 4", nrow); //We need to deal with a borrowing of ori here, so we need to have strides dropped at one point. { let strides = ori.strides(); assert!(strides[0] == 1, "The memory stride is not column major (f order)"); } RodVecComp{ ori, } }//End of new_init ///Return a ndarray view of the orientation data pub fn ori_view(&self) -> ArrayView2<f64>{ self.ori.view() } ///Return a ndarray mutable view of the orientation data pub fn ori_view_mut(&mut self) -> ArrayViewMut2<f64>{ self.ori.view_mut() } ///Returns a new RodVecComp that is equal to the equivalent of transposing a rotation matrix. ///It turns out this is simply the negative of the normal vector due to the vector being formed ///from an axial vector of the rotation matrix --> Rmat\^T = -Rx where Rx is the axial vector. pub fn transpose(&self) -> RodVecComp{ let nelems = self.ori.len_of(Axis(1)); let mut ori = Array2::<f64>::zeros((3, nelems).f()); ori.assign(&(-1.0 * &self.ori)); RodVecComp::new_init(ori) } ///Performs the equivalent of transposing a rotation matrix on the internal orientations. ///It turns out this is simply the negative of the normal vector due to the vector being formed ///from an axial vector of the rotation matrix --> Rmat\^T = -Rx where Rx is the axial vector. pub fn transpose_inplace(&mut self){ self.ori.mapv_inplace(|x| {-1.0_f64 * x}); } }//End of Impl of RodVecComp ///The orientation conversions of a series of compact Rodrigues vectors to a number of varying different orientation ///representations commonly used in material orientation processing. It should be noted that the compact ///Rodrigues vector is much more likely to be numerically unstable compared to the other orientation representations. ///This is due to the fact that the tan(phi\2) term is included into the compacted vector. impl OriConv for RodVecComp{ ///Converts the compact Rodrigues vector representation over to Bunge angles which has the following properties ///shape (3, nelems), memory order = fortran/column major. fn to_bunge(&self) -> Bunge{ let rmat = self.to_rmat(); //When a pure conversion doesn't exist we just use the already existing ones in other orientation //representations rmat.to_bunge() }//End of to_bunge ///Converts the compact Rodrigues vector representation over to a rotation matrix which has the following properties ///shape (3, 3, nelems), memory order = fortran/column major. fn to_rmat(&self) -> RMat{ let ang_axis = self.to_ang_axis(); //We could convert this to a pure converesion if we wanted to save on memory usage later on ang_axis.to_rmat() }//End of to_rmat ///Converts the compact Rodrigues vector representation over to axis-angle representation which has the following properties ///shape (4, nelems), memory order = fortran/column major. fn to_ang_axis(&self) -> AngAxis{ let rod_vec = self.to_rod_vec(); rod_vec.to_ang_axis() }//End of to_ang_axis ///Converts the compact Rodrigues vector representation over to a compact axial vector representation which has the following properties ///shape (4, nelems), memory order = fortran/column major. fn to_ang_axis_comp(&self) -> AngAxisComp{ let ang_axis = self.to_ang_axis(); ang_axis.to_ang_axis_comp() }//End of to_ang_axis_comp ///Converts the compact Rodrigues vector representation over to a Rodrigues which has the following properties ///shape (4, nelems), memory order = fortran/column major. fn to_rod_vec(&self) -> RodVec{ let nelems = self.ori.len_of(Axis(1)); let mut ori = Array2::<f64>::zeros((4, nelems).f()); let tol = std::f64::EPSILON; azip!(mut rodvec (ori.axis_iter_mut(Axis(1))), ref rodvec_comp (self.ori.axis_iter(Axis(1))) in { let norm_rodvec = f64::sqrt({ rodvec_comp[0] * rodvec_comp[0] + rodvec_comp[1] * rodvec_comp[1] + rodvec_comp[2] * rodvec_comp[2] }); //If we follow the same convention that we use with quaternions for cases with no rotation //then we set it equal to the following vector with the no rotation ([0, 0, 1], 0) if norm_rodvec.abs() < tol { rodvec[2] = 1.0_f64; }else if norm_rodvec == std::f64::INFINITY { rodvec[3] = norm_rodvec; }else { let inv_norm_rodvec = 1.0_f64 / norm_rodvec; rodvec[0] = rodvec_comp[0] * inv_norm_rodvec; rodvec[1] = rodvec_comp[1] * inv_norm_rodvec; rodvec[2] = rodvec_comp[2] * inv_norm_rodvec; rodvec[3] = norm_rodvec; } }); RodVec::new_init(ori) }//End of to_rod_vec ///Returns a clone of the compact Rodrigues vector structure fn to_rod_vec_comp(&self) -> RodVecComp{ self.clone() }//End of to_rod_vec_comp ///Converts the compact Rodrigues vector representation over to a unit quaternion which has the following properties ///shape (4, nelems), memory order = fortran/column major. fn to_quat(&self) -> Quat{ //Will replace this with a more direct conversion later on let ang_axis = self.to_ang_axis(); ang_axis.to_quat() }//End of to_quat ///Converts the compact Rodrigues vector representation over to a homochoric representation which has the following properties ///shape (4, nelems), memory order = fortran/column major. fn to_homochoric(&self) -> Homochoric{ let ang_axis = self.to_ang_axis(); ang_axis.to_homochoric() }//End of to_homochoric ///Converts the compact Rodrigues vector representation over to Bunge angles which has the following properties ///shape (3, nelems), memory order = fortran/column major. ///This operation is done inplace and does not create a new structure fn to_bunge_inplace(&self, bunge: &mut Bunge){ let rmat = self.to_rmat(); rmat.to_bunge_inplace(bunge); } ///Converts the compact Rodrigues vector representation over to a rotation matrix which has the following properties ///shape (3, 3, nelems), memory order = fortran/column major. ///This operation is done inplace and does not create a new structure fn to_rmat_inplace(&self, rmat: &mut RMat){ let ang_axis = self.to_ang_axis(); ang_axis.to_rmat_inplace(rmat); } ///Converts the compact Rodrigues vector representation over to axis-angle representation which has the following properties ///shape (4, nelems), memory order = fortran/column major. ///This operation is done inplace and does not create a new structure fn to_ang_axis_inplace(&self, ang_axis: &mut AngAxis){ let rod_vec = self.to_rod_vec(); rod_vec.to_ang_axis_inplace(ang_axis); } ///Converts the compact Rodrigues vector representation over to compact axis-angle representation which has the following properties ///shape (3, nelems), memory order = fortran/column major. ///This operation is done inplace and does not create a new structure fn to_ang_axis_comp_inplace(&self, ang_axis_comp: &mut AngAxisComp){ let ang_axis = self.to_ang_axis(); ang_axis.to_ang_axis_comp_inplace(ang_axis_comp); } ///Converts the compact Rodrigues vector representation over to a Rodrigues which has the following properties ///shape (4, nelems), memory order = fortran/column major. ///This operation is done inplace and does not create a new structure fn to_rod_vec_inplace(&self, rod_vec: &mut RodVec){ let mut ori = rod_vec.ori_view_mut(); let new_nelem = ori.len_of(Axis(1)); let nelem = self.ori.len_of(Axis(1)); assert!(new_nelem == nelem, "The number of elements in the original ori field do no match up with the new field. The old field had {} elements, and the new field has {} elements", nelem, new_nelem); let tol = std::f64::EPSILON; azip!(mut rodvec (ori.axis_iter_mut(Axis(1))), ref rodvec_comp (self.ori.axis_iter(Axis(1))) in { let norm_rodvec = f64::sqrt({ rodvec_comp[0] * rodvec_comp[0] + rodvec_comp[1] * rodvec_comp[1] + rodvec_comp[2] * rodvec_comp[2] }); //If we follow the same convention that we use with quaternions for cases with no rotation //then we set it equal to the following vector with the no rotation ([0, 0, 1], 0) if norm_rodvec.abs() < tol { rodvec[2] = 1.0_f64; }else if norm_rodvec == std::f64::INFINITY { rodvec[3] = norm_rodvec; }else { let inv_norm_rodvec = 1.0_f64 / norm_rodvec; rodvec[0] = rodvec_comp[0] * inv_norm_rodvec; rodvec[1] = rodvec_comp[1] * inv_norm_rodvec; rodvec[2] = rodvec_comp[2] * inv_norm_rodvec; rodvec[3] = norm_rodvec; } }); } ///Returns a clone of the compact Rodrigues vector structure ///This operation is done inplace and does not create a new structure fn to_rod_vec_comp_inplace(&self, rod_vec_comp: &mut RodVecComp){ let mut ori = rod_vec_comp.ori_view_mut(); let new_nelem = ori.len_of(Axis(1)); let nelem = self.ori.len_of(Axis(1)); assert!(new_nelem == nelem, "The number of elements in the original ori field do no match up with the new field. The old field had {} elements, and the new field has {} elements", nelem, new_nelem); ori.assign(&self.ori); } ///Converts the compact Rodrigues vector representation over to a unit quaternion which has the following properties ///shape (4, nelems), memory order = fortran/column major. ///This operation is done inplace and does not create a new structure fn to_quat_inplace(&self, quat: &mut Quat){ let ang_axis = self.to_ang_axis(); ang_axis.to_quat_inplace(quat); } ///Converts the compact Rodrigues vector representation over to a homochoric representation which has the following properties ///shape (4, nelems), memory order = fortran/column major. ///This operation is done inplace and does not create a new structure fn to_homochoric_inplace(&self, homochoric: &mut Homochoric){ let ang_axis = self.to_ang_axis(); ang_axis.to_homochoric_inplace(homochoric); } }//End of impl Ori_Conv of Compact Rodrigues Vector