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2D
shigemorita/2Dpy
contour.py
.py
2,436
70
import numpy import pandas from matplotlib import pyplot from matplotlib import ticker data_file = "contour.csv" num_contour = 16 pyplot.rcParams["axes.linewidth"] = 1.5 pyplot.rcParams["figure.dpi"] = 100 pyplot.rcParams["figure.figsize"] = (4, 4) pyplot.rcParams["font.family"] = "serif" pyplot.rcParams["font.size"] ...
Python
2D
shigemorita/2Dpy
2Dpy.py
.py
2,013
68
import math import numpy import pandas from matplotlib import pyplot hetero = False inputfile1 = "spec.csv" # hetero=True # inputfile1="spec1.csv" # inputfile2="spec2.csv" left_large = True dynamic = True num_contour = 16 # file read spec1 = pandas.read_csv(inputfile1, header=0, index_col=0).T if hetero == False: i...
Python
2D
shigemorita/2Dpy
contour.ipynb
.ipynb
4,357
152
{ "cells": [ { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [ "import numpy\n", "import pandas\n", "from matplotlib import pyplot\n", "from matplotlib import ticker" ] }, { "cell_type": "code", "execution_count": null, "metadata...
Unknown
2D
shigemorita/2Dpy
2Dpy.ipynb
.ipynb
3,678
141
{ "cells": [ { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [ "import math\n", "import numpy\n", "import pandas\n", "from matplotlib import pyplot" ] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs...
Unknown
2D
GiggleLiu/QuantumMPS
resolve_env.jl
.jl
386
20
using Pkg deps = ["Yao", "DelimitedFiles", "FileIO", "Fire", "JLD2", "KrylovKit", "StatsBase"] extras = ["CUDAnative", "CuArrays"] USE_CUDA = !("nocuda" in ARGS) if USE_CUDA deps = vcat(deps, extras) end for x in deps println("Installing $x ...") Pkg.add(x) end if USE_CUDA println("Installing CuYao ...
Julia
2D
GiggleLiu/QuantumMPS
j1j2.jl
.jl
2,133
61
include("applications.jl") using Fire @main function sample_cluster() m = model(Val(:cluster); nbit=3, B=10) @show gensample(m, X) end """ julia j1j2.jl train [--symmetry <su2|u1|general>] [--depth <Int>] Train a 4 x 4 frustrated Heisenberg model with J2 = 0.5. Available ansatz symmetries includes `gene...
Julia
2D
GiggleLiu/QuantumMPS
applications.jl
.jl
4,101
126
push!(LOAD_PATH, abspath("src")) using Yao using QMPS using DelimitedFiles, JLD2, FileIO, Pkg # CUDA switch const USE_CUDA = haskey(Pkg.installed(), "CuYao") USE_CUDA && println("Hint: Using CUDA since `CuYao` is detected. Edit file `applications.jl` to modify CUDA settings, like switching computing devices.") USE_CUD...
Julia
2D
GiggleLiu/QuantumMPS
CuChem.jl
.jl
292
10
using CUDAnative, CuArrays using CUDAnative: device!, devices, CuDevice using CuYao import CuYao: cu CuArrays.allowscalar(false) function cu(chem::QuantumMPS) QuantumMPS(chem.nbit_measure, chem.nbit_virtual, chem.nbit_ancilla, chem.circuit, chem.initial_reg |> cu, chem.input_state) end
Julia
2D
GiggleLiu/QuantumMPS
TFI_onefile.jl
.jl
3,911
130
using Yao using Statistics: mean using LinearAlgebra rotor(noleading::Bool=false, notrailing::Bool=false) = noleading ? (notrailing ? Rx(0) : chain(Rx(0), Rz(0))) : (notrailing ? chain(Rz(0), Rx(0)) : chain(Rz(0), Rx(0), Rz(0))) function twoqubit_circuit(nlayer::Int, nrepeat::Int) nbit_measure = nbit_virtual = 1 ...
Julia
2D
GiggleLiu/QuantumMPS
chainmodel.jl
.jl
1,080
32
include("applications.jl") function train(nsite;depth::Int=2) symmetry = :twoqubit model = TFI(nsite; h=0.5, periodic=false) ansatz = simple_ansatz(nsite, symmetry, depth; load_params=false) run_train(ansatz, model; SAVE_ID=Symbol(symmetry,:_d,depth), niter=500, start_point=0) end function measure(ta...
Julia
2D
GiggleLiu/QuantumMPS
src/TFI.jl
.jl
1,078
44
export TFI struct TFI{D} <: AbstractModel{D} size::NTuple{D, Int} h::Float64 periodic::Bool TFI(size::Int...; h::Real, periodic::Bool) = new{length(size)}(size, Float64(h), periodic) end function get_bonds(model::TFI{1}) nbit, = model.size [(i, i%nbit+1, 1.0) for i in 1:(model.periodic ? nbit ...
Julia
2D
GiggleLiu/QuantumMPS
src/Adam.jl
.jl
972
41
export Adam, update! mutable struct Adam lr::AbstractFloat gclip::AbstractFloat beta1::AbstractFloat beta2::AbstractFloat eps::AbstractFloat t::Int fstm scndm end Adam(; lr=0.001, gclip=0, beta1=0.9, beta2=0.999, eps=1e-8)=Adam(lr, gclip, beta1, beta2, eps, 0, nothing, nothing) functi...
Julia
2D
GiggleLiu/QuantumMPS
src/gradient.jl
.jl
1,173
39
export QMPSOptimizer, gradients_exact struct QMPSOptimizer chem::QuantumMPS model::AbstractModel optimizer diff_blocks params::Vector QMPSOptimizer(chem::QuantumMPS, model::AbstractModel, optimizer) = new(chem, model, optimizer, collect_blocks(AbstractDiff, chem.circuit), parameters(chem.circui...
Julia
2D
GiggleLiu/QuantumMPS
src/correlation.jl
.jl
1,928
60
export measure_corr """ measure correlator. e.g. measure_corr(chem, 1=>X, 3=>X) will measure <σₓ¹σₓ³> from a quantum MPS. """ function measure_corr(chem::QuantumMPS, si::Pair{Int, <:PauliGate}, sj::Pair{Int, <:PauliGate}) si.first > sj.first && return measure_corr(chem, sj, si) si.first == sj.first && throw(A...
Julia
2D
GiggleLiu/QuantumMPS
src/AbstractModel.jl
.jl
1,050
41
export AbstractModel, Heisenberg export heisenberg_ij, hamiltonian, heisenberg_term, ground_state, energy, energy_exact, get_bonds, energy, heisenberg_2d, nspin abstract type AbstractModel{D} end abstract type AbstractHeisenberg{D} <: AbstractModel{D} end nspin(model::AbstractModel) = prod(size(model)) """ energ...
Julia
2D
GiggleLiu/QuantumMPS
src/Core.jl
.jl
2,936
90
export getblock, nbit_used, nbit_simulated, nrepeat, expand_circuit, QuantumMPS export state_exact, fidelity_exact export gensample """ QuantumMPS{RT} Members: `nbit_measure`, number of qubits measured in a single iteration, or physical qubits. `nbit_virtual`, number of virtual qubits to represent the vir...
Julia
2D
GiggleLiu/QuantumMPS
src/J1J2.jl
.jl
1,535
55
export J1J2 """ J1J2{D} <: AbstractHeisenberg{D} frustrated Heisenberg model. """ struct J1J2{D} <: AbstractHeisenberg{D} size::NTuple{D, Int} periodic::Bool J2::Float64 J1J2(size::Int...; J2::Real, periodic::Bool) = new{length(size)}(size, periodic, Float64(J2)) end Base.size(model::J1J2) = mode...
Julia
2D
GiggleLiu/QuantumMPS
src/Heisenberg.jl
.jl
1,635
51
struct Heisenberg{D} <: AbstractHeisenberg{D} size::NTuple{D, Int} periodic::Bool Heisenberg(size::Int...; periodic::Bool) = new{length(size)}(size, periodic) end Base.size(model::Heisenberg) = model.size heisenberg_ij(nbit::Int, i::Int, j::Int=i+1) = put(nbit, i=>X)*put(nbit, j=>X) + put(nbit, i=>Y)*put(...
Julia
2D
GiggleLiu/QuantumMPS
src/QMPS.jl
.jl
370
22
module QMPS using Yao using Yao.ConstGate: SWAP using BitBasis: packbits using StatsBase using StatsBase: mean using LinearAlgebra using KrylovKit using QuAlgorithmZoo PauliGate{T} = Union{XGate{T}, YGate{T}, ZGate{T}} include("Adam.jl") include("Core.jl") include("AbstractModel.jl") include("gradient.jl") include(...
Julia
2D
GiggleLiu/QuantumMPS
src/ansatz/su2_circuit.jl
.jl
1,700
51
function su2_unit(nbit::Int, i::Int, j::Int) put(nbit, (i,j)=>rot(SWAP, 0.0)) end """ su2_circuit(nbit_virtual::Int, nlayer::Int, nrepeat::Int, pairs::Vector) -> Sequence SU(2) symmetry quantum circuit ansatz for evolving states in S^2 = 0 good quantum number block. It requires `2+nbit_virtual` qubits, `pairs...
Julia
2D
GiggleLiu/QuantumMPS
src/ansatz/general_circuit.jl
.jl
2,153
62
using Yao export random_circuit, pair_ring """ pair_ring(n::Int) -> Vector Pair ring. """ pair_ring(n::Int) = [i=>mod(i, n)+1 for i=1:n] """ cnot_entangler(n::Int, pairs::Vector{Pair}) = ChainBlock Arbitrary entangler unit, support lazy construction. """ cnot_entangler(n::Int, pairs) = chain(n, control(n, ...
Julia
2D
GiggleLiu/QuantumMPS
src/ansatz/ansatz.jl
.jl
531
19
export model """ model(which::Symbol; nbit::Int, V::Int, B::Int=4096, nlayer::Int=5) predefined models, `which` should be one of :random, :u1, :su2. * `nbit` is the system size (length of MPS), * `V` is the number of virtual qubits, * `B` is the batch size. * `nlayer` is the number of layers in a block. """ model...
Julia
2D
GiggleLiu/QuantumMPS
src/ansatz/twoqubit_circuit.jl
.jl
946
28
export twoqubit_circuit function twoqubit_circuit(nlayer::Int, nrepeat::Int) nbit_measure = nbit_virtual = 1 nbit_used = nbit_measure + nbit_virtual circuit = chain(nbit_used) for i=1:nrepeat unit = chain(nbit_used) for j=1:nlayer push!(unit, put(nbit_used, 1=>rotor(true, f...
Julia
2D
GiggleLiu/QuantumMPS
src/ansatz/cluster.jl
.jl
479
14
cluster_block(isfirst::Val{true}) = chain(2, [repeat(2, H, 1:2), control(2, 1, 2=>Z)]) cluster_block(isfirst::Val{false}) = chain(2, [swap(2, 1, 2), put(2, 2=>H), control(2, 1, 2=>Z)]) function cluster_circuit(nrepeat::Int) sequence([cluster_block(Val(i==1)) for i=1:nrepeat]) end function model(::Val{:cluster}; n...
Julia
2D
GiggleLiu/QuantumMPS
src/ansatz/u1_circuit.jl
.jl
1,115
36
function u1_unit(nbit::Int, i::Int, j::Int) chain(nbit, put(nbit, i=>Rz(0)), put(nbit, j=>Rz(0)), put(nbit, (i,j)=>rot(SWAP, 0)) ) end """ u1_circuit(nbit_measure::Int, nbit_virtual::Int, nlayer::Int, nrepeat::Int, entangler_pairs) -> Sequence U(1) symmetric quantum circuit ansatz. """ function u1...
Julia
2D
GiggleLiu/QuantumMPS
test/runtests.jl
.jl
3,587
82
push!(LOAD_PATH, abspath("src")) using Yao using LinearAlgebra, Statistics using BitBasis: packbits using QMPS using Test, Random # make it cluster state @testset "convert wave function check" begin chem = model(:su2; nbit=9, nlayer=2, B=10, V=5, pairs=pair_ring(5)) c = random_circuit(1, 4, 2, 5, pair_ring(5))...
Julia
2D
daihui/QuantumWalkSimulation
classicalRW.py
.py
1,583
58
#!/usr/bin/env python # -*- coding: utf-8 -*- __author__ = 'levitan' import math from numpy import * import numpy as np import random from matplotlib import pyplot as plt def classicalRanNum(): coinX = int(random.choice(['1', '-1'])) coinY = int(random.choice(['1', '-1'])) return coinX, coinY # print c...
Python
2D
daihui/QuantumWalkSimulation
AnimatedScatter.py
.py
4,512
125
#!/usr/bin/env python # -*- coding: utf-8 -*- __author__ = 'levitan' import matplotlib.pyplot as plt import matplotlib.animation as animation from numpy import * import QWithDiffShift as QDS import time class AnimatedScatterQW(object): """An animated scatter plot using matplotlib.animations.FuncAnimation.""" ...
Python
2D
daihui/QuantumWalkSimulation
quantumRWTest.py
.py
582
23
#!/usr/bin/env python # -*- coding: utf-8 -*- __author__ = 'levitan' import quantumRW as QW from numpy import * from matplotlib import pyplot as plt import quantumRWMat as QWM totalSteps=100 plotSteps=10 # steps=50 # qwalker= QW.distriQW(1/sqrt(2),1j/sqrt(2),1/sqrt(2),1j/sqrt(2),steps,1) #QW.Plot2D(qwalker) #QW.Plot...
Python
2D
daihui/QuantumWalkSimulation
quantumRWMat.py
.py
5,568
143
#!/usr/bin/env python # -*- coding: utf-8 -*- __author__ = 'levitan' """ This is matrix release for 2D quantum walk simulation. 量子游走的基本过程:有一个初始量子态,coin是一个幺正变换,一次游走即coin对量子态变换一次 然后根据量子态walk一步,得到一个位置概率分布,如此反复。 """ from numpy import * from matplotlib import pyplot as plt # 初始化量子态,是一个对角矩阵 def initQuanStat(X0, X1, Y0, Y...
Python
2D
daihui/QuantumWalkSimulation
QWithDiffShiftTest.py
.py
3,092
86
#!/usr/bin/env python # -*- coding: utf-8 -*- __author__ = 'levitan' from numpy import * from matplotlib import pyplot as plt import QWithDiffShift as QDS # distribution=QDS.QWDistribution(1/sqrt(2),1j/sqrt(2),700,1) # QDS.PlotX(distribution) def QDSPlot(X0, X1, steps, shiftGateNum): for step in range(1, steps ...
Python
2D
daihui/QuantumWalkSimulation
classicalRWMat.py
.py
1,888
54
#!/usr/bin/env python #-*- coding: utf-8 -*- __author__ = 'levitan' """ This is a matrix release for 2D classic random walk simulation. 经典随机游走的基本过程:在一个初始位置,投一次coin(随机选择),根据coin的结果, 选择向某一个方向走一步,然后再投一次coin,周而复始。 classicalRanMun():产生一个随机coin classcalWalkerPosition():walker的初始位置,设为(0,0) classicalWalk():根据参数walkNum随机游走wal...
Python
2D
daihui/QuantumWalkSimulation
QWithDiffShift.py
.py
25,076
598
#!/usr/bin/env python # -*- coding: utf-8 -*- __author__ = 'levitan' """ This is matrix release for 1D quantum walk with different shift simulation(graph). 基本过程:有一个初始量子态,coin是一个幺正变换,一次游走即coin对量子态变换一次 然后根据量子态walk一步,或几步(根据shift而定)得到一个位置概率分布,如此反复。 """ from numpy import * from matplotlib import pyplot as plt import time ...
Python
2D
daihui/QuantumWalkSimulation
quantumRW.py
.py
7,551
163
#!/usr/bin/env python # -*- coding: utf-8 -*- __author__ = 'levitan' from numpy import * from matplotlib import pyplot as plt import copy dimension = 1 def initQuantumStateList(X0, X1, Y0, Y1, totalSteps): initquantumStateList = zeros([2 * totalSteps + 1, 2 * totalSteps + 1, 2, 2], dtype=complex) initquant...
Python
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec04/Lec04_lipo_smiles_cnn_prediction.ipynb
.ipynb
704,913
550
{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/heartcored98/Standalone-DeepLearning-Chemistry/blob/master/Lec04/Lec04_lipo_smiles_cnn_prediction.ipynb)" ] }, ...
Unknown
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec04/utils.py
.py
7,950
213
import os import numpy as np from rdkit import Chem, DataStructs from rdkit.Chem import AllChem from rdkit.Chem.Crippen import MolLogP from rdkit.Chem.rdMolDescriptors import CalcTPSA from torch.utils.data import Dataset from sklearn.utils import shuffle from sklearn.model_selection import train_test_split, KFold ...
Python
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec06/Lec06_hyperparameter_tuning_with_tensorboard.ipynb
.ipynb
12,043
347
{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/heartcored98/Standalone-DeepLearning-Chemistry/blob/master/Lec06/Lec06_hyperparameter_tuning_with_tensorboard.ipynb)"...
Unknown
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec03/Lec03_MLP_with_molecular_fingerprint.ipynb
.ipynb
84,942
1,075
{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/heartcored98/Standalone-DeepLearning-Chemistry/blob/master/Lec03/Lec03_MLP_with_molecular_fingerprint.ipynb)" ] ...
Unknown
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec03/utils.py
.py
7,950
213
import os import numpy as np from rdkit import Chem, DataStructs from rdkit.Chem import AllChem from rdkit.Chem.Crippen import MolLogP from rdkit.Chem.rdMolDescriptors import CalcTPSA from torch.utils.data import Dataset from sklearn.utils import shuffle from sklearn.model_selection import train_test_split, KFold ...
Python
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec02/4_cifar10_tutorial.ipynb
.ipynb
41,974
689
{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/heartcored98/Standalone-DeepLearning-Chemistry/blob/master/Lec02/4_cifar10_tutorial.ipynb)" ] }, { "cell_ty...
Unknown
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec02/1_tensor_tutorial.ipynb
.ipynb
14,739
661
{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/heartcored98/Standalone-DeepLearning-Chemistry/blob/master/Lec02/1_tensor_tutorial.ipynb)" ] }, { "cell_typ...
Unknown
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec02/3_neural_networks_tutorial.ipynb
.ipynb
14,030
463
{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/heartcored98/Standalone-DeepLearning-Chemistry/blob/master/Lec02/3_neural_networks_tutorial.ipynb)" ] }, { ...
Unknown
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec02/2_autograd_tutorial.ipynb
.ipynb
12,383
466
{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/heartcored98/Standalone-DeepLearning-Chemistry/blob/master/Lec02/2_autograd_tutorial.ipynb)" ] }, { "cell_t...
Unknown
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec05/Lec05_lipo_graph_gcn_prediction.ipynb
.ipynb
608,543
698
{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/heartcored98/Standalone-DeepLearning-Chemistry/blob/master/Lec05/Lec05_lipo_graph_gcn_prediction.ipynb)" ] }, ...
Unknown
2D
heartcored98/Standalone-DeepLearning-Chemistry
Lec05/utils.py
.py
7,950
213
import os import numpy as np from rdkit import Chem, DataStructs from rdkit.Chem import AllChem from rdkit.Chem.Crippen import MolLogP from rdkit.Chem.rdMolDescriptors import CalcTPSA from torch.utils.data import Dataset from sklearn.utils import shuffle from sklearn.model_selection import train_test_split, KFold ...
Python
2D
JChemPaint/jchempaint
Native/OSX/setclipboard_swift.h
.h
333
8
void setClipboard(const unsigned char *pdfData, const unsigned int pdfDataSize, const unsigned char *svgData, const unsigned int svgDataSize, const unsigned char *pngData, const unsigned int pngDataSize, const...
Unknown
2D
JChemPaint/jchempaint
Native/OSX/setclipboard.c
.c
1,240
37
#include <stdio.h> #include <stdlib.h> #include <jni.h> #include "setclipboard.h" #include "setclipboard_swift.h" JNIEXPORT void JNICALL Java_org_openscience_jchempaint_OsxClipboard_setClipboard( JNIEnv *env, jclass cls, jbyteArray pdfData, jbyteArray svgData, jbyteArray pngData, jstring smi) { int pdfDataLen ...
C
2D
JChemPaint/jchempaint
Native/OSX/setclipboard.h
.h
600
21
/* DO NOT EDIT THIS FILE - it is machine generated */ #include <jni.h> /* Header for class org_openscience_jchempaint_OsxClipboard */ #ifndef _Included_org_openscience_jchempaint_OsxClipboard #define _Included_org_openscience_jchempaint_OsxClipboard #ifdef __cplusplus extern "C" { #endif /* * Class: org_openscien...
Unknown
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/AtomContainerRenderer.java
.java
17,882
499
/* Copyright (C) 2008-2009 Gilleain Torrance <gilleain.torrance@gmail.com> * 2008-2009 Arvid Berg <goglepox@users.sf.net> * 2009 Egon Willighagen <egonw@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or ...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/JChemPaintRendererModel.java
.java
31,772
954
/* Copyright (C) 2008-2009 Gilleain Torrance <gilleain@users.sf.net> * 2008-2009 Arvid Berg <goglepox@users.sf.net> * 2009 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/BoundsCalculator.java
.java
4,817
126
/* Copyright (C) 2008-2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/RenderingParameters.java
.java
7,025
250
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * 2009 Arvid Berg <goglepox@users.sf.net> * 2009 Egon Willighagen <egonw@users.sf.net> * 2009 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/IRenderer.java
.java
2,738
84
/* Copyright (C) 2009 Egon Willighagen <egonw@users.lists.sf> * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * o...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/Renderer.java
.java
36,342
995
/* Copyright (C) 2008-2009 Gilleain Torrance <gilleain.torrance@gmail.com> * 2008-2009 Arvid Berg <goglepox@users.sf.net> * 2009 Stefan Kuhn <shk3@users.sf.net> * 2009 Egon Willighagen <egonw@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * ...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/AtomContainerTitleGenerator.java
.java
3,057
75
/* $Revision: $ $Author: $ $Date$ * * Copyright (C) 2008 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Fo...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/RadicalGenerator.java
.java
3,686
95
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2009 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ExternalHighlightAtomGenerator.java
.java
2,129
50
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2010 Stefan Kuhn <shhk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Found...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/IReactionSetGenerator.java
.java
385
13
package org.openscience.jchempaint.renderer.generators; import org.openscience.cdk.interfaces.IReactionSet; import org.openscience.jchempaint.renderer.JChemPaintRendererModel; import org.openscience.cdk.renderer.elements.IRenderingElement; public interface IReactionSetGenerator { public IRenderingElement genera...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/SelectControlGenerator.java
.java
5,161
110
/* * Copyright (C) 2025 John Mayfield * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of the License, or (...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/AtomNumberGenerator.java
.java
2,573
71
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ReactionPlusGenerator.java
.java
3,346
82
/* Copyright (C) 2009 Stefan Kuhn <shk3@users.sf.net> * 2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as publis...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/AtomMassGenerator.java
.java
2,589
77
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Fou...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ExtendedAtomGenerator.java
.java
9,631
252
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * ...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ControllerFeedbackGenerator.java
.java
1,963
55
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Fou...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/AtomContainerBoundsGenerator.java
.java
1,931
52
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Fou...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/IReactionGenerator.java
.java
1,333
37
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * ...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/HighlightBondGenerator.java
.java
3,979
95
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * ...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/SelectBondGenerator.java
.java
3,140
80
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ProductsBoxGenerator.java
.java
2,915
73
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2009 Stefan Kuhn * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/MergeAtomsGenerator.java
.java
3,244
96
/* Copyright (C) 2009 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of t...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/MappingGenerator.java
.java
2,812
72
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * 2009 Stefan Kuhn <sh3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published b...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ReactionArrowGenerator.java
.java
2,241
55
/* Copyright (C) 2009 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of t...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/SelectionToolGenerator.java
.java
2,616
67
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/SelectAtomGenerator.java
.java
3,698
89
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/LonePairGenerator.java
.java
3,893
104
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2009 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/HighlightAtomGenerator.java
.java
2,592
64
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * ...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/BoundsGenerator.java
.java
3,101
81
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * 2009 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published ...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ReactantsBoxGenerator.java
.java
2,449
64
/* Copyright (C) 2009 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of th...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ReactionBoxGenerator.java
.java
2,599
65
/* Copyright (C) 2009 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of t...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/ExternalHighlightBondGenerator.java
.java
2,128
50
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Founda...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/generators/TooltipGenerator.java
.java
2,691
66
/* Copyright (C) 2009 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-jchempaint@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of th...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/elements/WigglyLineElement.java
.java
2,253
68
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2009 Stefan Kuhn <stefan.kuhn@ebi.ac.uk> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Fo...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/elements/TextGroupElement.java
.java
3,098
102
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * ...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/elements/TextElement.java
.java
2,101
72
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Fou...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/font/FreeSansBoldGM.java
.java
25,201
129
/* FreeSansBoldGM.java: Autogenerated by ttf2svgpath from FreeSansBold.otf */ package org.openscience.jchempaint.renderer.font; import java.util.HashMap; import java.util.Map; import org.openscience.jchempaint.renderer.font.GlyphMetrics; public class FreeSansBoldGM { public Map<Integer, GlyphMetrics> map; public...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/font/GlyphMetrics.java
.java
369
14
/* FreeSansBoldGM.java: Autogenerated by ttf2svgpath from FreeSansBold.otf */ package org.openscience.jchempaint.renderer.font; public class GlyphMetrics { public int xMin, xMax, yMin, yMax, adv; public String outline; public GlyphMetrics (int a, int b, int c, int d, int e, String s) { xMin=a; xM...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/selection/RectangleSelection.java
.java
2,600
80
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/selection/ShapeSelection.java
.java
5,420
183
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/selection/SingleSelection.java
.java
2,750
94
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2009 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foun...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/selection/LogicalSelection.java
.java
4,881
156
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * 2009 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as publish...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/selection/IncrementalSelection.java
.java
1,848
53
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2009 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foun...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/selection/MultiSelection.java
.java
2,574
91
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2009 Arvid Berg <goglepox@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foun...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/selection/LassoSelection.java
.java
2,322
75
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/selection/AtomContainerSelection.java
.java
3,694
111
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2010 Stefan Kuhn <shk3@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundat...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/visitor/SVGGenerator.java
.java
26,223
759
/** * Copyright (C) 2001-2007 The Chemistry Development Kit (CDK) Project * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; eithe...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/visitor/PrintVisitor.java
.java
3,221
104
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 The Chemistry Development Kit (CDK) project * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Sof...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/visitor/DistanceSearchVisitor.java
.java
3,504
106
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/visitor/AWTDrawVisitor.java
.java
26,882
662
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/visitor/AbstractAWTDrawVisitor.java
.java
3,194
89
/* $Revision$ $Author$ $Date$ * * Copyright (C) 2008 Gilleain Torrance <gilleain.torrance@gmail.com> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software...
Java
2D
JChemPaint/jchempaint
render/src/main/java/org/openscience/jchempaint/renderer/visitor/IDrawVisitor.java
.java
1,328
35
/* Copyright (C) 2009 Gilleain Torrance <gilleain@users.sf.net> * * Contact: cdk-devel@list.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * ...
Java