converts to polar coordinate

[SasmalSubarna]

No description provided.

[github-actions]

1.9.6
There is only one chain in the pdb file
1.9.6
2.0.0
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
<mdtraj.Trajectory with 200 frames, 9362 atoms, 3046 residues, and unitcells>
<mdtraj.Topology with 1 chains, 3046 residues, 9362 atoms, 12684 bonds>
1.9.6
1.9.6
1.9.6

Test Report

Global Parameters

• Engine = openai
• n = 5

Results

Test	Run 0	Run 1	Run 2	Run 3	Run 4
cubes	Pass	Pass	Pass	Pass	Pass
derivative1d-ch	Fail	Fail	Fail	Fail	Fail
derivative_2deg	Fail	Fail	Fail	Fail	Fail
dipole	Fail	Fail	Fail	Fail	Fail
hydrophobic_res	Fail	Fail	Fail	Fail	Fail
integral	Fail	Fail	Fail	Fail	Fail
trap	Fail	Pass	Fail	Pass	Pass
invert_matrix	Pass	Fail	Fail	Fail	Fail
mape	Pass	Fail	Pass	Pass	Fail
mapping_operator	Fail	Fail	Fail	Fail	Fail
matrix_factorial	Fail	Fail	Fail	Fail	Fail
pair_wise	Fail	Fail	Fail	Fail	Fail
pi	Fail	Fail	Pass	Fail	Fail
polar	Fail	Fail	Fail	Fail	Fail
random_walk	Fail	Pass	Fail	Fail	Fail
remove-water-ch	Fail	Fail	Fail	Pass	Fail
remove-water	Fail	Fail	Fail	Fail	Fail
rmse-ch	Pass	Pass	Pass	Pass	Pass
rmse	Pass	Pass	Pass	Pass	Pass
rog	Fail	Pass	Fail	Fail	Fail
select_frames	Fail	Pass	Pass	Pass	Pass
sequence	Pass	Pass	Pass	Pass	Pass
smoke	Pass	Pass	Pass	Pass	Pass

Test Details

cubes

derivative1d-ch

derivative_2deg

dipole

Exception on response 1

unsupported operand type(s) for -: 'float' and 'NoneType'

Exception on response 2

unsupported operand type(s) for -: 'float' and 'NoneType'

Exception on response 3

name 'dipole' is not defined

Exception on response 4

unsupported operand type(s) for -: 'float' and 'NoneType'

hydrophobic_res

Exception on response 0

invalid syntax (<string>, line 24)

Exception on response 1

invalid syntax (<string>, line 23)

Exception on response 2

invalid syntax (<string>, line 23)

integral

Exception on response 1

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Exception on response 3

invalid syntax (<string>, line 21)

trap

Exception on response 0

invalid syntax (<string>, line 19)

Exception on response 2

invalid syntax (<string>, line 19)

invert_matrix

mape

mapping_operator

Exception on response 0

expected an indented block (<string>, line 20)

Exception on response 1

expected an indented block (<string>, line 20)

Exception on response 2

invalid syntax (<string>, line 19)

Exception on response 3

[Errno 2] No such file or directory: 'water.gro'

Exception on response 4

invalid syntax (<string>, line 22)

matrix_factorial

Exception on response 0

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Exception on response 1

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Exception on response 2

invalid syntax (<string>, line 21)

Exception on response 3

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

pair_wise

Exception on response 0

invalid syntax (<string>, line 23)

Exception on response 1

invalid syntax (<string>, line 23)

Exception on response 2

name 'n' is not defined

Exception on response 3

invalid syntax (<string>, line 23)

Exception on response 4

invalid syntax (<string>, line 24)

pi

Exception on response 0

unsupported operand type(s) for -: 'NoneType' and 'float'

Exception on response 1

unsupported operand type(s) for -: 'NoneType' and 'float'

Exception on response 3

unsupported operand type(s) for -: 'NoneType' and 'float'

Exception on response 4

unsupported operand type(s) for -: 'NoneType' and 'float'

polar

Exception on response 0

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Exception on response 1

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Exception on response 2

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Exception on response 3

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Exception on response 4

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

random_walk

Exception on response 0

invalid syntax (<string>, line 20)

Exception on response 2

invalid syntax (<string>, line 19)

Exception on response 3

unsupported operand type(s) for *: 'NoneType' and 'NoneType'

Exception on response 4

expected an indented block (<string>, line 22)

remove-water-ch

Exception on response 0

'Trajectory' object has no attribute 'restrict_'

Exception on response 1

invalid syntax (<string>, line 20)

Exception on response 2

'NoneType' object has no attribute 'n_atoms'

Exception on response 4

'NoneType' object has no attribute 'n_atoms'

remove-water

Exception on response 0

'NoneType' object has no attribute 'n_atoms'

Exception on response 1

invalid syntax (<string>, line 19)

Exception on response 2

'NoneType' object has no attribute 'n_atoms'

Exception on response 3

invalid syntax (<string>, line 19)

Exception on response 4

'NoneType' object has no attribute 'n_atoms'

rmse-ch

rmse

rog

Exception on response 0

name 'radius_of_' is not defined

Exception on response 2

name 'radius' is not defined

Exception on response 3

name 'radius' is not defined

Exception on response 4

name 'radius' is not defined

select_frames

Exception on response 0

'NoneType' object has no attribute 'n_frames'

sequence

smoke

[github-actions]

1.9.6
No protein molecules found
1.9.6
No protein molecules found
1.9.6
No protein molecules found
1.9.6
1.9.6
2.0.0
2.0.0
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6
[0.94689588]
1.9.6
1.9.6
1.9.6
1.9.6
1.9.6

Test Report

Global Parameters

• Engine = openai
• n = 5

Results

Test	Run 0	Run 1	Run 2	Run 3	Run 4
cubes	Pass	Pass	Pass	Pass	Pass
derivative1d-ch	Fail	Fail	Fail	Fail	Fail
derivative_2deg	Fail	Fail	Fail	Fail	Fail
dipole	Fail	Fail	Fail	Fail	Fail
hydrophobic_res	Fail	Fail	Fail	Fail	Fail
integral	Fail	Fail	Fail	Fail	Fail
trap	Pass	Pass	Pass	Pass	Pass
invert_matrix	Pass	Pass	Pass	Fail	Pass
mape	Fail	Fail	Fail	Fail	Pass
mapping_operator	Fail	Fail	Fail	Fail	Fail
matrix_factorial	Fail	Fail	Fail	Fail	Fail
pair_wise	Fail	Fail	Fail	Fail	Fail
pi	Fail	Pass	Fail	Fail	Fail
polar	Fail	Fail	Pass	Fail	Pass
random_walk	Pass	Fail	Fail	Fail	Pass
remove-water-ch	Fail	Fail	Fail	Fail	Fail
remove-water	Fail	Fail	Fail	Fail	Fail
rmse-ch	Pass	Pass	Pass	Pass	Pass
rmse	Pass	Pass	Pass	Pass	Pass
rog	Fail	Fail	Pass	Fail	Fail
select_frames	Pass	Pass	Pass	Pass	Pass
sequence	Pass	Pass	Pass	Pass	Pass
smoke	Pass	Pass	Pass	Pass	Pass

Test Details

cubes

derivative1d-ch

Exception on response 0

invalid syntax (<string>, line 21)

Exception on response 3

name 'df' is not defined

derivative_2deg

dipole

Exception on response 0

unsupported operand type(s) for -: 'float' and 'NoneType'

Exception on response 1

unsupported operand type(s) for -: 'float' and 'NoneType'

Exception on response 2

unsupported operand type(s) for -: 'float' and 'NoneType'

Exception on response 3

unsupported operand type(s) for -: 'float' and 'NoneType'

Exception on response 4

unsupported operand type(s) for -: 'float' and 'NoneType'

hydrophobic_res

Exception on response 4

name 'p' is not defined

integral

Exception on response 2

invalid syntax (<string>, line 21)

trap

invert_matrix

mape

mapping_operator

Exception on response 0

[Errno 2] No such file or directory: 'water.gro'

Exception on response 1

invalid syntax (<string>, line 19)

Exception on response 2

[Errno 2] No such file or directory: 'water.gro'

Exception on response 3

expected an indented block (<string>, line 19)

Exception on response 4

expected an indented block (<string>, line 20)

matrix_factorial

Exception on response 4

The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

pair_wise

Exception on response 0

name 'alpha_carbon_coord' is not defined

Exception on response 1

name 'alpha_carbon_pairs' is not defined

Exception on response 2

invalid syntax (<string>, line 23)

Exception on response 3

name 'pair' is not defined

Exception on response 4

name 'num' is not defined

pi

Exception on response 0

unsupported operand type(s) for -: 'NoneType' and 'float'

Exception on response 2

unsupported operand type(s) for -: 'NoneType' and 'float'

Exception on response 3

unsupported operand type(s) for -: 'NoneType' and 'float'

Exception on response 4

unsupported operand type(s) for -: 'NoneType' and 'float'

polar

Exception on response 0

name 'the' is not defined

random_walk

Exception on response 1

unsupported operand type(s) for *: 'NoneType' and 'NoneType'

Exception on response 2

invalid syntax (<string>, line 21)

Exception on response 3

invalid syntax (<string>, line 19)

remove-water-ch

Exception on response 0

'NoneType' object has no attribute 'n_atoms'

Exception on response 1

'NoneType' object has no attribute 'n_atoms'

Exception on response 2

'NoneType' object has no attribute 'n_atoms'

Exception on response 3

'NoneType' object has no attribute 'n_atoms'

Exception on response 4

'NoneType' object has no attribute 'n_atoms'

remove-water

Exception on response 0

'Trajectory' object has no attribute 'atom_'

Exception on response 1

'NoneType' object has no attribute 'n_atoms'

Exception on response 2

invalid syntax (<string>, line 20)

Exception on response 3

invalid syntax (<string>, line 19)

Exception on response 4

'NoneType' object has no attribute 'n_atoms'

rmse-ch

rmse

rog

Exception on response 0

name 'radius' is not defined

Exception on response 1

name 'radius' is not defined

Exception on response 3

No such file: protein.pdb

Exception on response 4

unsupported operand type(s) for -: 'float' and 'NoneType'

select_frames

sequence

smoke