douweschulte pdbtbx issues

douweschulte / pdbtbx

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.

https://crates.io/crates/pdbtbx

MIT License

53 stars 16 forks source link

issues

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Newest Most commented Recently updated Oldest Least commented Least recently updated

replace `if...panic` with `assert`

#29 TianyiShi2001 closed 3 years ago
1
Remove pointers from children

#28 douweschulte closed 3 years ago
2
a new atom should not contain a pointer to the parent

#27 TianyiShi2001 closed 3 years ago
2
The last row of transformation matrix is redundant

#26 TianyiShi2001 closed 3 years ago
5
Update transformation.rs

#25 TianyiShi2001 closed 3 years ago
0
replace map(...).flatten() with flat_map(...)

#24 TianyiShi2001 closed 3 years ago
0
idiomatic rust

#23 TianyiShi2001 closed 3 years ago
2
remove set_<parent>_pointers

#22 TianyiShi2001 closed 3 years ago
1
Use *thiserror* for error handling

#21 TianyiShi2001 closed 3 years ago
2
Remove set_{parent}_pointer

#20 douweschulte closed 3 years ago
1
run cargo fmt

#19 TianyiShi2001 closed 3 years ago
0
add cargo fmt and clippy to workflow

#18 TianyiShi2001 closed 3 years ago
0
refactor

#17 TianyiShi2001 closed 3 years ago
0
Implement fast predicate removal of children

#16 douweschulte closed 3 years ago
0
Prefer `Vec<u8>/[u8]` over `Vec<char>/[char]`

#15 TianyiShi2001 opened 3 years ago
4
Derive `PartialEq` and `Clone` for some structs

#14 TianyiShi2001 closed 3 years ago
1
fix some clippy warnings and errors

#13 TianyiShi2001 closed 3 years ago
0
Making each level in the hierarchy "slice-like"

#12 TianyiShi2001 closed 3 years ago
2
generic `extend`

#11 TianyiShi2001 closed 3 years ago
2
adds a generic remove_residues function (remove by predicate)

#10 TianyiShi2001 closed 3 years ago
0
idiomatic naming: changing `amount_*s` to `*_count`

#9 TianyiShi2001 closed 3 years ago
0
Represent space group differently

#8 douweschulte closed 3 years ago
0
Handle Models

#7 douweschulte closed 3 years ago
2
Error messages

#6 douweschulte closed 3 years ago
2
Change charge representation to isize

#5 douweschulte closed 3 years ago
0
Unit tests

#4 douweschulte closed 3 years ago
0
Support CONNECT

#3 douweschulte closed 3 years ago
1
Get transformation for space group

#2 douweschulte closed 3 years ago
0
Document every function

#1 douweschulte closed 3 years ago
0

douweschulte / pdbtbx

issues

replace `if...panic` with `assert`

Remove pointers from children

a new atom should not contain a pointer to the parent

The last row of transformation matrix is redundant

Update transformation.rs

replace map(...).flatten() with flat_map(...)

idiomatic rust

remove set_<parent>_pointers

Use thiserror for error handling

Remove set_{parent}_pointer

run cargo fmt

add cargo fmt and clippy to workflow

refactor

Implement fast predicate removal of children

Prefer `Vec<u8>/[u8]` over `Vec<char>/[char]`

Derive `PartialEq` and `Clone` for some structs

fix some clippy warnings and errors

Making each level in the hierarchy "slice-like"

generic `extend`

adds a generic remove_residues function (remove by predicate)

idiomatic naming: changing `amount_s` to `_count`

Represent space group differently

Handle Models

Error messages

Change charge representation to isize

Unit tests

Support CONNECT

Get transformation for space group

Document every function