From 6fb4320fc29078f287e65ffcbf05eec4cb1a6de8 Mon Sep 17 00:00:00 2001 From: Test User Date: Wed, 19 Jan 2022 17:02:22 +0100 Subject: [PATCH 1/5] [skip ci] updated version information after successful test of v3.0.0-alpha5-451-g3fbf1459d --- python/damask/VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/damask/VERSION b/python/damask/VERSION index 278b0bc78..75b174809 100644 --- a/python/damask/VERSION +++ b/python/damask/VERSION @@ -1 +1 @@ -v3.0.0-alpha5-441-g8b5122f52 +v3.0.0-alpha5-451-g3fbf1459d From 77f22318a885cdf2f564b054530b0f6bd7a1f29d Mon Sep 17 00:00:00 2001 From: Daniel Otto de Mentock Date: Thu, 20 Jan 2022 11:52:56 +0000 Subject: [PATCH 2/5] Typehint improvements --- python/damask/_colormap.py | 2 +- python/damask/_grid.py | 26 +++++++++++--------------- 2 files changed, 12 insertions(+), 16 deletions(-) diff --git a/python/damask/_colormap.py b/python/damask/_colormap.py index 2c7f01d94..1ccc292e6 100644 --- a/python/damask/_colormap.py +++ b/python/damask/_colormap.py @@ -250,7 +250,7 @@ class Colormap(mpl.colors.ListedColormap): np.logical_or (np.isnan(field), field == gap)) # mask NaN (and gap if present) l,r = (field[mask].min(),field[mask].max()) if bounds is None else \ - np.array(bounds,float)[:2] + (bounds[0],bounds[1]) delta,avg = r-l,0.5*abs(r+l) diff --git a/python/damask/_grid.py b/python/damask/_grid.py index 002d00259..eefd1e0be 100644 --- a/python/damask/_grid.py +++ b/python/damask/_grid.py @@ -428,7 +428,7 @@ class Grid: seeds_p = np.vstack((seeds_p-np.array([0.,size[1],0.]),seeds_p,seeds_p+np.array([0.,size[1],0.]))) seeds_p = np.vstack((seeds_p-np.array([0.,0.,size[2]]),seeds_p,seeds_p+np.array([0.,0.,size[2]]))) else: - weights_p = weights + weights_p = np.array(weights,float) seeds_p = seeds coords = grid_filters.coordinates0_point(cells,size).reshape(-1,3) @@ -841,7 +841,8 @@ class Grid: if not set(directions).issubset(valid): raise ValueError(f'invalid direction {set(directions).difference(valid)} specified') - mat = np.flip(self.material, (valid.index(d) for d in directions if d in valid)) + + mat = np.flip(self.material, [valid.index(d) for d in directions if d in valid]) return Grid(material = mat, size = self.size, @@ -973,14 +974,13 @@ class Grid: Updated grid-based geometry. """ - if fill is None: fill = np.nanmax(self.material) + 1 - dtype = float if isinstance(fill,float) or self.material.dtype in np.sctypes['float'] else int - material = self.material # These rotations are always applied in the reference coordinate system, i.e. (z,x,z) not (z,x',z'') # see https://www.cs.utexas.edu/~theshark/courses/cs354/lectures/cs354-14.pdf for angle,axes in zip(R.as_Euler_angles(degrees=True)[::-1], [(0,1),(1,2),(0,1)]): - material_temp = ndimage.rotate(material,angle,axes,order=0,prefilter=False,output=dtype,cval=fill) + material_temp = ndimage.rotate(material,angle,axes,order=0,prefilter=False, + output=self.material.dtype, + cval=np.nanmax(self.material) + 1 if fill is None else fill) # avoid scipy interpolation errors for rotations close to multiples of 90° material = material_temp if np.prod(material_temp.shape) != np.prod(material.shape) else \ np.rot90(material,k=np.rint(angle/90.).astype(int),axes=axes) @@ -1031,10 +1031,8 @@ class Grid: """ offset_ = np.array(offset,int) if offset is not None else np.zeros(3,int) cells_ = np.array(cells,int) if cells is not None else self.cells - if fill is None: fill = np.nanmax(self.material) + 1 - dtype = float if int(fill) != fill or self.material.dtype in np.sctypes['float'] else int - canvas = np.full(cells_,fill,dtype) + canvas = np.full(cells_,np.nanmax(self.material) + 1 if fill is None else fill,self.material.dtype) LL = np.clip( offset_, 0,np.minimum(self.cells, cells_+offset_)) UR = np.clip( offset_+cells_, 0,np.minimum(self.cells, cells_+offset_)) @@ -1067,13 +1065,11 @@ class Grid: Updated grid-based geometry. """ - def mp(entry, mapper): - return mapper[entry] if entry in mapper else entry + material = self.material.copy() + for f,t in zip(from_material,to_material): # ToDo Python 3.10 has strict mode for zip + material[self.material==f] = t - mp = np.vectorize(mp) - mapper = dict(zip(from_material,to_material)) - - return Grid(material = mp(self.material,mapper).reshape(self.cells), + return Grid(material = material, size = self.size, origin = self.origin, comments = self.comments+[util.execution_stamp('Grid','substitute')], From 48f38e74d71c0d259fa99d70d6f00a1ed0b43693 Mon Sep 17 00:00:00 2001 From: Test User Date: Thu, 20 Jan 2022 15:11:14 +0100 Subject: [PATCH 3/5] [skip ci] updated version information after successful test of v3.0.0-alpha5-454-gb64a603ef --- python/damask/VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/damask/VERSION b/python/damask/VERSION index 75b174809..208571663 100644 --- a/python/damask/VERSION +++ b/python/damask/VERSION @@ -1 +1 @@ -v3.0.0-alpha5-451-g3fbf1459d +v3.0.0-alpha5-454-gb64a603ef From c2a822d8fd36a17f67e1d0fc31b9c514a7a633a1 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 20 Jan 2022 23:45:47 +0000 Subject: [PATCH 4/5] keys() function for dictionary as in Python. Does not work for gfortran which fails with an ICE. --- src/YAML_types.f90 | 28 ++++++++++++++++++++++++++++ src/material.f90 | 11 +++++++++-- 2 files changed, 37 insertions(+), 2 deletions(-) diff --git a/src/YAML_types.f90 b/src/YAML_types.f90 index 5884c2850..6e926b39e 100644 --- a/src/YAML_types.f90 +++ b/src/YAML_types.f90 @@ -62,6 +62,8 @@ module YAML_types tNode_get_byKey_as1dString => tNode_get_byKey_as1dString procedure :: & getKey => tNode_get_byIndex_asKey + procedure :: & + Keys => tNode_getKeys procedure :: & getIndex => tNode_get_byKey_asIndex procedure :: & @@ -625,6 +627,32 @@ function tNode_get_byIndex_asKey(self,i) result(key) end function tNode_get_byIndex_asKey +!-------------------------------------------------------------------------------------------------- +!> @brief Get all keys from a dictionary +!-------------------------------------------------------------------------------------------------- +function tNode_getKeys(self) result(keys) + + class(tNode), intent(in) :: self + character(len=:), dimension(:), allocatable :: keys + + character(len=pStringLen), dimension(:), allocatable :: temp + integer :: j, l + + allocate(temp(self%length)) + l = 0 + do j = 1, self%length + temp(j) = self%getKey(j) + l = max(len_trim(temp(j)),l) + end do + + allocate(character(l)::keys(self%length)) + do j = 1, self%length + keys(j) = trim(temp(j)) + end do + +end function tNode_getKeys + + !------------------------------------------------------------------------------------------------- !> @brief Checks if a given key/item is present in the dict/list !------------------------------------------------------------------------------------------------- diff --git a/src/material.f90 b/src/material.f90 index 52940ee4a..1e3a4b4ec 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -108,8 +108,14 @@ subroutine parse() homogenizations => config_material%get('homogenization') call sanityCheck(materials, homogenizations) + +#if defined (__GFORTRAN__) material_name_phase = getKeys(phases) material_name_homogenization = getKeys(homogenizations) +#else + material_name_phase = phases%Keys() + material_name_homogenization = homogenizations%Keys() +#endif allocate(homogenization_Nconstituents(homogenizations%length)) do h=1, homogenizations%length @@ -203,9 +209,9 @@ subroutine sanityCheck(materials,homogenizations) end subroutine sanityCheck - +#if defined (__GFORTRAN__) !-------------------------------------------------------------------------------------------------- -!> @brief Get all keys from a dictionary +!> @brief %keys() is broken on gfortran !-------------------------------------------------------------------------------------------------- function getKeys(dict) @@ -228,5 +234,6 @@ function getKeys(dict) end do end function getKeys +#endif end module material From 4b601a38e7f2904f95f3550c511b94627c1d58bc Mon Sep 17 00:00:00 2001 From: Test User Date: Fri, 21 Jan 2022 03:05:10 +0100 Subject: [PATCH 5/5] [skip ci] updated version information after successful test of v3.0.0-alpha5-457-g75040047c --- python/damask/VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/damask/VERSION b/python/damask/VERSION index 208571663..beee5f0d7 100644 --- a/python/damask/VERSION +++ b/python/damask/VERSION @@ -1 +1 @@ -v3.0.0-alpha5-454-gb64a603ef +v3.0.0-alpha5-457-g75040047c