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5f3cdff
Added manual function for running github actions and added pipeline e…
okkevaneck Aug 12, 2023
48de941
Forget variable sign
okkevaneck Aug 12, 2023
e57944d
Another try
okkevaneck Aug 12, 2023
eeab8e1
Another one
okkevaneck Aug 12, 2023
36fb5c3
Different appraoch
okkevaneck Aug 12, 2023
260b476
Changed usage
okkevaneck Aug 12, 2023
0b03a58
Removed brackets to don't reploy on push for non-master branches
okkevaneck Aug 12, 2023
666d893
Removed condition statements, as they might already be added by the i…
okkevaneck Aug 12, 2023
a06c2ef
Changed to string eval of true as github actions is possibly broken b…
okkevaneck Aug 12, 2023
f988140
Removed string eval as it appearently works
okkevaneck Aug 12, 2023
021e74d
Fix/locate version module from @rubenhorn (#58)
okkevaneck Aug 12, 2023
a44e3b8
Added specific typing for the pull_request workflow
okkevaneck Aug 12, 2023
8145e22
Merge branch 'develop' of github.com:OkkeVanEck/prospr into develop
okkevaneck Aug 12, 2023
386c327
Fixed typo
okkevaneck Aug 12, 2023
0d2e838
Added dependencies with develop as root branch (#59)
okkevaneck Aug 12, 2023
b37a36b
Upped version
okkevaneck Aug 12, 2023
d193104
Merged master into develop. Shouldn't be needed, but here we are.
okkevaneck Oct 22, 2025
212b9b7
Updated the archives
okkevaneck Oct 22, 2025
1bf2d5d
Added export_protein(protein, path) for writing PDB files (#71)
rubenhorn Oct 23, 2025
25babe5
Upated Mol* link syntax
okkevaneck Oct 26, 2025
0dc5b5b
Enable PDF generation in Read the Docs config (#74)
rubenhorn Oct 26, 2025
4671b21
Removed the push trigger for CI/CD to prevent unwanted executions.
okkevaneck Oct 26, 2025
b8ac39b
Bumped version of Numpy to v2.0.0 in order to overcome multiarray re-…
okkevaneck Oct 26, 2025
2677bb5
Changed github.ref to github.base_ref to allow for deployment on merg…
okkevaneck Oct 26, 2025
84b1447
Added an actions trigger for push on master branch
okkevaneck Oct 26, 2025
a1e50c1
Merge branch 'master' into develop
okkevaneck Oct 26, 2025
5bcb922
Merge branch 'master' of github.com:OkkeVanEck/prospr into develop
okkevaneck Nov 12, 2025
a8ce69c
Bumped version for deploy on master
okkevaneck Nov 12, 2025
4bf584f
Upgraded the pre-commit config to be functional
okkevaneck Nov 12, 2025
4df9c55
Bumped version for future merge
okkevaneck Nov 12, 2025
873811c
Ran pre-commit
okkevaneck Nov 12, 2025
7fbd9a2
Checkpoints for depth_first_bnb (#77) - Author: Ruben Horn
rubenhorn Dec 7, 2025
10ede7c
Merge branch 'master' into develop
okkevaneck Dec 7, 2025
ff4754c
Bump version for next merge
okkevaneck Dec 7, 2025
973df10
Merge branch 'develop' of github.com:OkkeVanEck/prospr into develop
okkevaneck Dec 7, 2025
7c3f2e6
Solved dfs_bnb checkpointing type problems. 1) Iterations do wrap-aro…
okkevaneck Jan 15, 2026
4056876
Merged forgotten master commits into develop
okkevaneck Jan 15, 2026
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Binary file modified archives/prospr_core.tar.gz
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2 changes: 1 addition & 1 deletion prospr/_version.py
Original file line number Diff line number Diff line change
@@ -1 +1 @@
__version__ = "1.2.9"
__version__ = "1.2.10"
9 changes: 5 additions & 4 deletions prospr/core/src/depth_first_bnb.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -104,7 +104,8 @@ bool reach_prune(Protein *protein, int move, int best_score,
void try_store_checkpoint(const Protein &protein,
const std::stack<int> &dfs_stack, int move,
bool placed_amino, int best_score, int score,
const std::vector<int> &best_hash, int iterations) {
const std::vector<int> &best_hash,
uint64_t iterations) {
/* Return if cache not in use. */
auto cache_dir = get_cache_dir("depth_first_bnb", true);
if (!cache_dir) {
Expand Down Expand Up @@ -170,7 +171,7 @@ void try_store_checkpoint(const Protein &protein,
void try_load_checkpoint(Protein &protein, std::stack<int> &dfs_stack,
int &move, bool &placed_amino, int &best_score,
int &score, std::vector<int> &best_hash,
int &iterations) {
uint64_t &iterations) {
/* Return if cache not in use. */
auto cache_dir = get_cache_dir("depth_first_bnb");
if (!cache_dir) {
Expand Down Expand Up @@ -250,7 +251,7 @@ void try_load_checkpoint(Protein &protein, std::stack<int> &dfs_stack,
best_hash.push_back(std::stoi(token));
}
} else if (key == "iterations")
iterations = std::stoi(value) - 1;
iterations = std::stoull(value) - 1;
}
}

Expand Down Expand Up @@ -333,7 +334,7 @@ void depth_first_bnb(Protein *protein, std::string prune_func) {
std::vector<int> best_hash;

int signal = 0;
int iterations = 0;
uint64_t iterations = 0;

/* Load intermediate solution from cache if present. */
try_load_checkpoint(*protein, dfs_stack, move, placed_amino, best_score,
Expand Down
4 changes: 2 additions & 2 deletions prospr/core/src/utils.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -181,8 +181,8 @@ void load_protein_state(Protein &protein, std::istream &in) {
protein.place_amino(std::stoi(token));
}
} else if (key == "aminos_placed")
protein._set_aminos_placed(std::stoi(value));
protein._set_aminos_placed(std::stoull(value));
else if (key == "solutions_checked")
protein._set_solutions_checked(std::stoi(value));
protein._set_solutions_checked(std::stoull(value));
}
}