mirror of
https://github.com/dnlbauer/WHAM.git
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update rand lib
This commit is contained in:
Daniel Bauer
69
Cargo.lock
generated
69
Cargo.lock
generated
@@ -106,15 +106,6 @@ dependencies = [
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"yaml-rust",
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]
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[[package]]
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name = "cloudabi"
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version = "0.0.3"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "ddfc5b9aa5d4507acaf872de71051dfd0e309860e88966e1051e462a077aac4f"
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dependencies = [
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"bitflags",
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]
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[[package]]
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name = "crossbeam-channel"
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version = "0.4.4"
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@@ -179,10 +170,15 @@ dependencies = [
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]
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[[package]]
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name = "fuchsia-cprng"
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version = "0.1.1"
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name = "getrandom"
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version = "0.1.15"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "a06f77d526c1a601b7c4cdd98f54b5eaabffc14d5f2f0296febdc7f357c6d3ba"
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checksum = "fc587bc0ec293155d5bfa6b9891ec18a1e330c234f896ea47fbada4cadbe47e6"
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dependencies = [
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"cfg-if",
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"libc",
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"wasi",
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]
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[[package]]
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name = "gimli"
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@@ -258,33 +254,52 @@ version = "0.3.18"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "d36492546b6af1463394d46f0c834346f31548646f6ba10849802c9c9a27ac33"
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[[package]]
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name = "ppv-lite86"
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version = "0.2.9"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "c36fa947111f5c62a733b652544dd0016a43ce89619538a8ef92724a6f501a20"
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[[package]]
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name = "rand"
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version = "0.5.6"
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version = "0.7.3"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "c618c47cd3ebd209790115ab837de41425723956ad3ce2e6a7f09890947cacb9"
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checksum = "6a6b1679d49b24bbfe0c803429aa1874472f50d9b363131f0e89fc356b544d03"
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dependencies = [
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"cloudabi",
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"fuchsia-cprng",
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"getrandom",
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"libc",
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"rand_core 0.3.1",
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"winapi",
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"rand_chacha",
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"rand_core",
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"rand_hc",
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]
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[[package]]
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name = "rand_core"
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version = "0.3.1"
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name = "rand_chacha"
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version = "0.2.2"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "7a6fdeb83b075e8266dcc8762c22776f6877a63111121f5f8c7411e5be7eed4b"
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checksum = "f4c8ed856279c9737206bf725bf36935d8666ead7aa69b52be55af369d193402"
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dependencies = [
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"rand_core 0.4.2",
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"ppv-lite86",
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"rand_core",
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]
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[[package]]
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name = "rand_core"
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version = "0.4.2"
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version = "0.5.1"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "9c33a3c44ca05fa6f1807d8e6743f3824e8509beca625669633be0acbdf509dc"
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checksum = "90bde5296fc891b0cef12a6d03ddccc162ce7b2aff54160af9338f8d40df6d19"
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dependencies = [
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"getrandom",
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]
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[[package]]
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name = "rand_hc"
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version = "0.2.0"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "ca3129af7b92a17112d59ad498c6f81eaf463253766b90396d39ea7a39d6613c"
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dependencies = [
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"rand_core",
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]
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[[package]]
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name = "rayon"
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@@ -356,6 +371,12 @@ version = "0.9.2"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "b5a972e5669d67ba988ce3dc826706fb0a8b01471c088cb0b6110b805cc36aed"
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[[package]]
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name = "wasi"
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version = "0.9.0+wasi-snapshot-preview1"
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source = "registry+https://github.com/rust-lang/crates.io-index"
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checksum = "cccddf32554fecc6acb585f82a32a72e28b48f8c4c1883ddfeeeaa96f7d8e519"
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[[package]]
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name = "wham"
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version = "0.9.8"
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@@ -12,7 +12,7 @@ keywords = ["math", "statistics", "histogram", "bioinformatics", "molecular-dyna
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[dependencies]
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clap = {version="2.32.0", features=['yaml']}
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error-chain = "0.12.0"
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rand = "0.5.5"
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rand = "0.7.*"
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GSL = "1.1"
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rayon = "1.0.3"
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@@ -1,101 +1,101 @@
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#coord1 Free Energy +/- Probability +/-
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|
||||
2.042035 28.697726 0.133263 0.000001 0.000000
|
||||
2.104867 29.417901 0.133513 0.000000 0.000000
|
||||
2.167699 30.008351 0.130925 0.000000 0.000000
|
||||
2.230531 30.406016 0.124398 0.000000 0.000000
|
||||
2.293363 30.171275 0.122493 0.000000 0.000000
|
||||
2.356194 29.884646 0.130278 0.000000 0.000000
|
||||
2.419026 29.428153 0.130844 0.000000 0.000000
|
||||
2.481858 28.546982 0.148114 0.000001 0.000000
|
||||
2.544690 27.757520 0.133045 0.000001 0.000000
|
||||
2.607522 26.505787 0.134364 0.000001 0.000000
|
||||
2.670354 24.491866 0.115061 0.000003 0.000000
|
||||
2.733186 22.320664 0.110036 0.000008 0.000000
|
||||
2.796017 20.052723 0.107894 0.000020 0.000001
|
||||
2.858849 17.655650 0.105964 0.000052 0.000002
|
||||
2.921681 15.471590 0.107005 0.000125 0.000005
|
||||
2.984513 13.138167 0.099378 0.000318 0.000012
|
||||
3.047345 11.092386 0.087770 0.000722 0.000022
|
||||
3.110177 9.065722 0.077092 0.001626 0.000038
|
||||
|
||||
@@ -1,4 +1,4 @@
|
||||
use rand::{SeedableRng, StdRng, Rng};
|
||||
use rand::prelude::*;
|
||||
use super::histogram::{Dataset};
|
||||
use super::perform_wham;
|
||||
use super::{Config,calc_free_energy};
|
||||
|
||||
@@ -3,6 +3,7 @@ extern crate wham;
|
||||
extern crate clap;
|
||||
extern crate rand;
|
||||
|
||||
use rand::prelude::*;
|
||||
use clap::App;
|
||||
use wham::Config;
|
||||
use wham::errors::*;
|
||||
@@ -49,7 +50,6 @@ fn cli() -> Result<Config> {
|
||||
.chain_err(|| "Cannot parse bootstrap iteration.")?;
|
||||
let bootstrap_seed: u64 = matches.value_of("bootstrap_seed")
|
||||
.unwrap_or({
|
||||
use rand::Rng;
|
||||
let mut rng = rand::thread_rng();
|
||||
&rng.gen::<u32>().to_string()
|
||||
}).parse()
|
||||
|
||||
Reference in New Issue
Block a user